3-Aminoisonicotinic acid

CAT: 0926-FA50739-01Size: 0.025 kgDry Ice: NoHazardous: No

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CAT#:0926-FA50739-01Size:0.025 kg

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CAS Number

7579-20-6

Synonyms

3-Amino-4-carboxypyridine

MDL Number

MFCD00137840

Smiles

C1=CN=CC (=C1C (=O) O) N

Molecular Formula

C6H6N2O2

Molecular Weight

138.12 g/mol

Controlled

Chemical Information

3-Aminoisonicotinic acid

CAS Number	7579-20-6
PubChem CID	459531
IUPAC Name	3-aminopyridine-4-carboxylic acid
Molecular Formula	C6H6N2O2
Molecular Weight	138.12
XLogP	0.2
Topological Polar Surface Area	76.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	138

SMILES

C1=CN=CC(=C1C(=O)O)N

InChI

InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)

InChIKey

FYEQKMAVRYRMBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7579-20-6

CID: 459531

Formula: C6H6N2O2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	138.042927438
Monoisotopic Mass	138.042927438
Topological Polar Surface Area	76.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FAA96183-01	3,3-oxydipropanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid
QDA80883-01	3,3-Dimethylhexanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid

Catalog	Name
TYD-00908-01	3-Aminoisonicotinic acid
sc-265410	2-Aminoisonicotinic acid
231619-01	3-Aminoisonicotinic acid 98+% (HPLC)
TRC-C325200-1G	2-Chloro-3-aminoisonicotinic Acid
423945-01	3-Aminoisonicotinic Acid Methyl Ester
A1378-33	3-Aminoisonicotinic Acid (3-Amino-4-pyridinecarboxylic Acid, 3-Amino-4-picoline)
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
HY-W016614	3,3'-Thiodipropanoic acid