6- (Hydroxymethyl) nicotinic acid

CAT: 0926-AGB54530-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-AGB54530-01Size:0.5 g

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CAS Number

775545-30-7

MDL Number

MFCD11977430

Smiles

C1=CC (=NC=C1C (=O) O) CO

Molecular Formula

C7H7NO3

Molecular Weight

153.14 g/mol

Controlled

Chemical Information

6-(Hydroxymethyl)pyridine-3-carboxylic acid

CAS Number	775545-30-7
PubChem CID	14722130
IUPAC Name	6-(hydroxymethyl)pyridine-3-carboxylic acid
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	-0.5
Topological Polar Surface Area	70.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

C1=CC(=NC=C1C(=O)O)CO

InChI

InChI=1S/C7H7NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9H,4H2,(H,10,11)

InChIKey

HJDYJONTIWRYOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 775545-30-7

CID: 14722130

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
Topological Polar Surface Area	70.4 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
FD122894-01	6- (Dimethylamino) nicotinic acid
LYB53562-01	6- (Difluoromethoxy) nicotinic acid
LXB66334	6- (Methylsulfonyl) nicotinic acid
UDA08476-01	6- (Benzyloxy) nicotinic acid
FF79686	6- (Fluoromethyl) Nicotinic Acid
QMB89585-01	6- (Trifluoromethoxy) nicotinic acid
HIB71599	6- (tert-Butyl) nicotinic acid
LYB53215-01	6-Methoxy-5- (trifluoromethyl) nicotinic acid
LKA63583-01	6-Chloro-2- (trifluoromethyl) nicotinic acid
GJA95814	6-[ (tert-Butoxycarbonyl) amino]nicotinic acid

Catalog	Name
OR1046990-01	5- (Hydroxymethyl) nicotinic acid
OR1103046-01	6- (Hydroxymethyl) nicotinic acid
OR346326-01	6-Hydroxymethyl-nicotinic acid methyl ester
014123	6- (Hydroxymethyl) -4-methoxy-5-methyl Nicotinic Acid Methyl Ester
MBS6038203-01	6-(Hydroxymethyl)-4-methoxy-5-methyl Nicotinic Acid Methyl Ester
434612	5- (Ethoxycarbonyl) -2- (hydroxymethyl-6-methyl-4- (3-nitrophenyl) nicotinic Acid (Nitrendipine Impurity)
TRC-E891635-50MG	5-(Ethoxycarbonyl)-2-(hydroxymethyl-6-methyl-4-(3-nitrophenyl)nicotinic Acid(Nitrendipine Impurity)
41400028-1	Nicotinic Acid