2-吡啶甲酸

Description

Picolinic acid is identified by CAS 98-98-6, molecular formula C6H5NO2 and molecular weight 123.03 g/mol. UNII QZV2W997JQ; ChEBI 28747; InChIKey SIOXPEMLGUPBBT-UHFFFAOYSA-N. Melting Point: 136.5 °C; Solubility: 960 mg/mL at 20 °C; Vapor Pressure: 0.00789 [mmHg].

Identification

CAS Registry Number	98-98-6
PubChem CID	1018
Molecular formula	C6H5NO2
Molecular weight	123.03 g/mol
IUPAC name	pyridine-2-carboxylic acid
InChIKey	SIOXPEMLGUPBBT-UHFFFAOYSA-N
UNII (FDA)	QZV2W997JQ
ChEBI ID	CHEBI:28747

Computed Descriptors

Molecular Weight	123.11
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	123.032028402
Monoisotopic Mass	123.032028402
Topological Polar Surface Area	50.2
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Melting Point	136.5 °C
Solubility	960 mg/mL at 20 °C
Vapor Pressure	0.00789 [mmHg]
LogP	0.72
LogP	-1.0
Dissociation Constants	0.99

Physical description & handling notes

• White or off-white crystalline powder; [MSDSonline]
• Solid
• >18.5 [ug/mL] (The mean of the results at pH 7.4)
• PCL-016 or Picolinic acid drug substance is a pyridine carboxylate metabolite of tryptophan. It acts as an anti-infective and immunomodulator through its role in zinc transport. ZFPs are involved in viral replication and packaging as well as normal cell homeostatic functions. Picolinic acid has been shown to be an anti-viral in vitro and in vivo.

GHS Hazard Classification

Reported hazard statements	H302 (93.9%), H315 (54.2%), H318 (17.3%), H319 (81.6%), H332 (40.8%), H335 (53.1%)

Documented Uses

• Iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides. [ChemIDplus]
• Synthetic Polymer MALDI Matrix Compounds
• 2-Pyridinecarboxylic acid: ACTIVE
• Investigated for use/treatment in acne, herpes labialis infections (cold sores), and venereal disease.
• Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.
• As a therapeutic agent, the molecule works by binding to zinc finger proteins (ZFPs) in a way that changes their structures and disrupts zinc binding, inhibiting function.

Synonyms

picolinic acid; 98-98-6; Pyridine-2-carboxylic acid; 2-Pyridinecarboxylic acid; 2-Carboxypyridine; o-Pyridinecarboxylic acid; Acide picolique; alpha-Pyridinecarboxylic acid; 2-pyridine carboxylic acid; DTXSID7031903; QZV2W997JQ; DTXCID5011903; CHEBI:28747; RefChem:863115; 202-719-7; 2-Picolinic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Picolinic acid?

CAS 98-98-6; molecular formula C6H5NO2; molecular weight 123.03 g/mol.

What other names is Picolinic acid known by?

picolinic acid, 98-98-6, Pyridine-2-carboxylic acid, 2-Pyridinecarboxylic acid, 2-Carboxypyridine, o-Pyridinecarboxylic acid.

Is Picolinic acid classified as hazardous?

Hazard statements reported: H302, H315, H318, H319, H332.

What are the key physical properties of Picolinic acid?

Melting Point: 136.5 °C; Solubility: 960 mg/mL at 20 °C; Vapor Pressure: 0.00789 [mmHg]; LogP: 0.72.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.