2-Chloro-5-hydroxynicotinic acid

CAT: 0926-SBA95940-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-SBA95940-01Size:250 mg

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CAS Number

42959-40-0

MDL Number

MFCD09757509

Smiles

C1=C (C=NC (=C1C (=O) O) Cl) O

Molecular Formula

C6H4ClNO3

Molecular Weight

173.55 g/mol

Controlled

Chemical Information

2-Chloro-5-hydroxypyridine-3-carboxylic acid

CAS Number	42959-40-0
PubChem CID	13010403
IUPAC Name	2-chloro-5-hydroxypyridine-3-carboxylic acid
Molecular Formula	C6H4ClNO3
Molecular Weight	173.55
XLogP	1
Topological Polar Surface Area	70.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	164

SMILES

C1=C(C=NC(=C1C(=O)O)Cl)O

InChI

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

InChIKey

OKIASDFNVMJNDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42959-40-0

CID: 13010403

Formula: C6H4ClNO3

MW: 173.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.55
XLogP3	1
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	70.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164
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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SCA64808-01	2-Chloro-5-ethylbenzoic acid
FC55540-01	2-Chloro-5-hydroxybenzoic acid
FC31319-01	2-Chloro-5-methylbenzoic acid
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FC70922-01	2-Chloro-5-iodobenzoic acid

Catalog	Name
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