2-Hydroxyisonicotinic acid

CAT: 0127-OR1910-02Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1910-02Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22282-72-0

Synonyms

2-Hydroxypyridine-4-carboxylic acid, 1,2-Dihydro-2-oxopyridine-4-carboxylic acid

MDL Number

MFCD00955759

Purity

=95%

Smiles

OC(=O)c1ccnc(O)c1

Chemical Information

2-Hydroxyisonicotinic Acid

CAS Number	22282-72-0
PubChem CID	280756
IUPAC Name	2-oxo-1H-pyridine-4-carboxylic acid
Molecular Formula	C6H5NO3
Molecular Weight	139.11
XLogP	-0.5
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	239

SMILES

C1=CNC(=O)C=C1C(=O)O

InChI

InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)

InChIKey

BXHCJLRTXPHUGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22282-72-0

CID: 280756

Formula: C6H5NO3

MW: 139.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.11
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	139.026943022
Monoisotopic Mass	139.026943022
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	239
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
OR1064212-01	2-Chloro-3-hydroxyisonicotinic acid
OR84063-01	2-Chloro-5-hydroxyisonicotinic acid
OR12100-01	3-Hydroxyisonicotinic acid
PC1009535-01	2-fluoro-3-hydroxyisonicotinic acid
OR1068199-01	2,6-Dichloro-3-hydroxyisonicotinic acid
OR345228	3-Bromo-5-hydroxyisonicotinic acid
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
OR1102080-01	2,2'-Sulfinyldiacetic acid
OR1049228-01	2,2-Dimethoxypropanoic acid
PC9834-01	2,2-Difluoropropanoic acid

Catalog	Name
279964-01	2-Hydroxyisonicotinic acid
230430-01	2-Hydroxyisonicotinic acid 98+%
279434-01	3-Hydroxyisonicotinic acid
WXB15210-01	2-Bromo-3-hydroxyisonicotinic acid
CZB57695-01	2-Fluoro-3-hydroxyisonicotinic acid
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)