3-Amino-2-pyridinecarboxylic Acid - CAS 1462-86-8

Catalog:	BB010065
Product Name:	3-Amino-2-pyridinecarboxylic Acid
CAS:	1462-86-8
Synonyms:	3-amino-2-pyridinecarboxylic acid; 3-aminopyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	3-aminopyridine-2-carboxylic acid
Description:	3-Amino-2-pyridinecarboxylic Acid (CAS# 1462-86-8) is used in the preparation of piperidinyl-methyl-purinamines as NSD2 inhibitors and anti-cancer agents.
Molecular Weight:	138.12
Molecular Formula:	C6H6N2O2
Canonical SMILES:	C1=CC(=C(N=C1)C(=O)O)N
InChI:	InChI=1S/C6H6N2O2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,7H2,(H,9,10)
InChI Key:	BOOMHTFCWOJWFO-UHFFFAOYSA-N
Boiling Point:	386.6 °C at 760 mmHg
Density:	1.417 g/cm³
MDL:	MFCD00090153
LogP:	0.94320

Publication Number	Title	Priority Date
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
US-2021188845-A1	Substituted bicyclic compounds useful as t cell activators	20191223
WO-2021133750-A1	Substituted bicyclic piperidine derivatives useful as t cell activators	20191223
WO-2021105906-A1	Aryl and heteroaryl compounds, and therapeutic uses thereof in conditions associated with the alteration of the activity of galactocerebrosidase	20191125
CN-110902646-A	Silicon-based target plate with array structure and application thereof	20191121

PMID	Publication Date	Title	Journal
22711590	20120723	Dihydrogen-catalyzed reversible carbon-hydrogen and nitrogen-hydrogen bond formation in organometallic iridium complexes	Angewandte Chemie (International ed. in English)
22590365	20120501	2-Amino-3-carb-oxy-pyridinium chloride hemihydrate	Acta crystallographica. Section E, Structure reports online
22091083	20110801	2-Amino-3-carb-oxy-pyridinium nitrate	Acta crystallographica. Section E, Structure reports online
20426405	20100607	On the analysis of the Cr-Cr multiple bond in several classes of dichromium compounds	Inorganic chemistry
17353955	20070328	An orthogonal ferromagnetically coupled tetracopper(II) 2 x 2 homoleptic grid supported by micro-O4 bridges and its DFT study	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H317 (96.36%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.042927438
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6