2,6-Diaminonicotinic Acid - CAS 175155-53-0

Catalog:	BB013088
Product Name:	2,6-Diaminonicotinic Acid
CAS:	175155-53-0
Synonyms:	2,6-diamino-3-pyridinecarboxylic acid; 2,6-diaminopyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2,6-diaminopyridine-3-carboxylic acid
Description:	2,6-Diaminonicotinic Acid (CAS# 175155-53-0) is used in the synthesis and evaluation of novel antifungal agents - quinoline and pyridine amide derivatives.
Molecular Weight:	153.14
Molecular Formula:	C6H7N3O2
Canonical SMILES:	C1=CC(=NC(=C1C(=O)O)N)N
InChI:	InChI=1S/C6H7N3O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)(H4,7,8,9)
InChI Key:	YTJMLBGHXQRLCA-UHFFFAOYSA-N
LogP:	0.45550

Publication Number	Title	Priority Date
EP-3026054-A1	Hetero-condensed ring compound	20130723
US-2016168176-A1	Hetero-fused cyclic compound	20130723
US-9975910-B2	Hetero-fused cyclic compound	20130723
EP-2248423-A1	Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens	20080227
US-2011009454-A1	Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens	20080227

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Carbonyl Compounds

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2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.053826475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	153.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	102
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2