4-Chloro-2-hydroxynicotinic acid

CAT: 0127-OR1074729-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1074729-01Size:100 mg

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CAS Number

605661-82-3

MDL Number

MFCD20647073

Purity

98%

Smiles

O=C(O)C1=C(O)N=CC=C1Cl

Chemical Information

4-Chloro-2-hydroxynicotinic acid

CAS Number	605661-82-3
PubChem CID	20732223
IUPAC Name	4-chloro-2-oxo-1H-pyridine-3-carboxylic acid
Molecular Formula	C6H4ClNO3
Molecular Weight	173.55
XLogP	0.8
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	280

SMILES

C1=CNC(=O)C(=C1Cl)C(=O)O

InChI

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

InChIKey

IHLBCGVADAYUDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 605661-82-3

CID: 20732223

Formula: C6H4ClNO3

MW: 173.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.55
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
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

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OR1101306-01	6-chloro-5-hydroxynicotinic acid

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