5-Chloro-4-hydroxynicotinic acid

CAT: 0926-LYB59192-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LYB59192-01Size:50 mg

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CAS Number

1211591-92-2

MDL Number

MFCD18257357

Smiles

C1=C (C (=O) C (=CN1) Cl) C (=O) O

Molecular Formula

C6H4ClNO3

Molecular Weight

173.55 g/mol

Controlled

Chemical Information

5-Chloro-4-hydroxypyridine-3-carboxylic acid

CAS Number	1211591-92-2
PubChem CID	72213977
IUPAC Name	5-chloro-4-oxo-1H-pyridine-3-carboxylic acid
Molecular Formula	C6H4ClNO3
Molecular Weight	173.55
XLogP	1.3
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	280

SMILES

C1=C(C(=O)C(=CN1)Cl)C(=O)O

InChI

InChI=1S/C6H4ClNO3/c7-4-2-8-1-3(5(4)9)6(10)11/h1-2H,(H,8,9)(H,10,11)

InChIKey

QPCBBCDHXBTYTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1211591-92-2

CID: 72213977

Formula: C6H4ClNO3

MW: 173.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.55
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	172.9879707
Monoisotopic Mass	172.9879707
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	280
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
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LAC63258	5-Chloro-2,4-difluorophenylacetic acid
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QAA08974-01	2-Chloro-4,5-dimethylbenzoic acid
FC71219-01	4-Chloro-3,5-dinitrobenzoic acid

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