3-Amino-6-chloro-2-pyridinecarboxylic Acid - CAS 866807-27-4

Catalog:	BB038027
Product Name:	3-Amino-6-chloro-2-pyridinecarboxylic Acid
CAS:	866807-27-4
Synonyms:	3-amino-6-chloro-2-pyridinecarboxylic acid; 3-amino-6-chloropyridine-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-amino-6-chloropyridine-2-carboxylic acid
Description:	3-Amino-6-chloro-2-pyridinecarboxylic Acid (CAS# 866807-27-4) is a useful research chemical.
Molecular Weight:	172.57
Molecular Formula:	C6H5ClN2O2
Canonical SMILES:	C1=CC(=NC(=C1N)C(=O)O)Cl
InChI:	InChI=1S/C6H5ClN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
InChI Key:	TXGSKLHDWJCBDC-UHFFFAOYSA-N
Boiling Point:	413.6 °C at 760 mmHg
Density:	1.577 g/cm³
MDL:	MFCD09264291
LogP:	1.59660

Publication Number	Title	Priority Date
WO-2021087087-A1	N-cyclohexyl-5-(thiazol-5-yl)-1h-indole-7-carboxamide derivatives and related compounds as cd38 inhibitors for increasing nad+ and for the treatment of e.g. muscular disorders	20191030
WO-2021014415-A2	Small molecule inhibitors of acetyl coenzyme a synthetase short chain 2 (acss2)	20190725
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
TW-202045504-A	Pyrido-pyrimidinyl compounds and methods of use	20190218

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0039551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.0039551
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5