3-Methyl-isonicotinic acid

CAT: 0024-sc-276334Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-276334Size:250 mg

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CAS Number

4021-12-9

Chemical Information

3-Methyl-isonicotinic acid

CAS Number	4021-12-9
PubChem CID	1502003
IUPAC Name	3-methylpyridine-4-carboxylic acid
Molecular Formula	C7H7NO2
Molecular Weight	137.14
XLogP	0.7
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

CC1=C(C=CN=C1)C(=O)O

InChI

InChI=1S/C7H7NO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4H,1H3,(H,9,10)

InChIKey

OSMAGAVKVRGYGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4021-12-9

CID: 1502003

Formula: C7H7NO2

MW: 137.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.14
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	137.047678466
Monoisotopic Mass	137.047678466
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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
sc-298820	3- (Acetylamino) isonicotinic acid
sc-298820A	3- (Acetylamino) isonicotinic acid
sc-250188A	Isonicotinic acid
sc-250188	Isonicotinic acid
sc-266700	3-Iodo-isonicotinic acid
sc-266806	3-Nitro-isonicotinic acid
sc-250188C	Isonicotinic acid
sc-250188B	Isonicotinic acid
sc-335037	2-Acetyl-isonicotinic acid methyl ester
sc-298471	2-Iodo-isonicotinic acid methyl ester

Catalog	Name
282431-01	3-Methyl isonicotinic acid
EAC32826-01	2,3-Dimethyl-isonicotinic acid methyl ester
280701-01	Isonicotinic acid
OR1039681-01	3- (Methoxycarbonyl) isonicotinic acid
PC1002369-01	3- (Trifluoromethoxy) isonicotinic acid
A611745	3-Amino Isonicotinic Acid
PC1005087-01	3- (Difluoromethoxy) isonicotinic acid
OR471460	3- (Methylamino) isonicotinic acid