3- (Methylamino) isonicotinic acid

CAT: 0926-LIC60259Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-LIC60259Size:2.5 g

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CAS Number

1461602-59-4

MDL Number

MFCD24160213

Smiles

CNC1=C (C=CN=C1) C (=O) O

Molecular Formula

C7H8N2O2

Molecular Weight

152.15 g/mol

Controlled

Chemical Information

3-(Methylamino)pyridine-4-carboxylic acid

CAS Number	1461602-59-4
PubChem CID	81750543
IUPAC Name	3-(methylamino)pyridine-4-carboxylic acid
Molecular Formula	C7H8N2O2
Molecular Weight	152.15
XLogP	0.9
Topological Polar Surface Area	62.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CNC1=C(C=CN=C1)C(=O)O

InChI

InChI=1S/C7H8N2O2/c1-8-6-4-9-3-2-5(6)7(10)11/h2-4,8H,1H3,(H,10,11)

InChIKey

JHSWDRAGEBOUER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1461602-59-4

CID: 81750543

Formula: C7H8N2O2

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	152.058577502
Monoisotopic Mass	152.058577502
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
BKB71753-01	2-Methylamino-isonicotinic acid
FI37886	Isonicotinic acid
TKB72363-01	2- (thiophen-3-yl) isonicotinic acid
FC141479	3-Chloro-2- (trifluoromethyl) isonicotinic acid
CZB59854-01	3-Amino-2- (trifluoromethyl) isonicotinic acid
LYB58151-01	2- (Difluoromethoxy) isonicotinic acid
UQB35319	2- (Cyclohexyloxy) isonicotinic acid
LDA64958-01	2- (Ethylamino) isonicotinic acid
GAC81814-01	2- (Difluoromethyl) Isonicotinic Acid
WYB17198-01	2- (Trifluoromethoxy) isonicotinic acid

Catalog	Name
sc-308435	2-Methylamino-isonicotinic acid
OR471460	3- (Methylamino) isonicotinic acid
OR1004224-01	2- (Methylamino) isonicotinic acid
280701-01	Isonicotinic acid