5-chloro-3-cyano-2-hydroxybenzoic acid

C8H4ClNO3 — CID 130981649

IUPAC5-chloro-3-cyano-2-hydroxybenzoic acid
SMILESN#Cc1cc(Cl)cc(C(=O)O)c1O
InChIInChI=1S/C8H4ClNO3/c9-5-1-4(3-10)7(11)6(2-5)8(12)13/h1-2,11H,(H,12,13)
InChIKeyANCNGABQPYISDC-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.62
Rot. Bonds1

About 5-chloro-3-cyano-2-hydroxybenzoic acid

5-chloro-3-cyano-2-hydroxybenzoic acid (PubChem CID 130981649) has the molecular formula C8H4ClNO3 and a molecular weight of 197.58 g/mol. Its IUPAC name is 5-chloro-3-cyano-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-chloro-3-cyano-2-hydroxybenzoic acid
PubChem CID130981649
Molecular FormulaC8H4ClNO3
Molecular Weight197.58 g/mol
Exact Mass196.99
IUPAC Name5-chloro-3-cyano-2-hydroxybenzoic acid
SMILESN#Cc1cc(Cl)cc(C(=O)O)c1O
InChIInChI=1S/C8H4ClNO3/c9-5-1-4(3-10)7(11)6(2-5)8(12)13/h1-2,11H,(H,12,13)
InChIKeyANCNGABQPYISDC-UHFFFAOYSA-N
XLogP1.62
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-3-cyanobenzoic acid
CID 72545064
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
5-chloro-2-cyano-3-ethylbenzoic acid
CID 130863050
2-chloro-4-cyano-5-nitrobenzoic acid
CID 119016703
4-chloro-2-cyano-6-(trifluoromethyl)benzoic acid
CID 118828419
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
5-amino-4-chloro-2-cyanobenzoic acid
CID 171018667
2,3-dichloro-4-cyanobenzoic acid
CID 123228484
2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
CID 53220181
5-cyano-4-fluoro-2-hydroxy-3-(trifluoromethyl)benzoic acid
CID 83668805
2-(2,6-dicyano-3,4-dihydroxyphenyl)benzoic acid
CID 72548036
5-chloro-2-(2-cyanoanilino)benzoic acid
CID 63538465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyano-2-hydroxybenzoic acid?
The IUPAC name of 5-chloro-3-cyano-2-hydroxybenzoic acid (CID 130981649) is 5-chloro-3-cyano-2-hydroxybenzoic acid.
What is the SMILES notation for 5-chloro-3-cyano-2-hydroxybenzoic acid?
The canonical SMILES for 5-chloro-3-cyano-2-hydroxybenzoic acid is N#Cc1cc(Cl)cc(C(=O)O)c1O.
What is the InChIKey of 5-chloro-3-cyano-2-hydroxybenzoic acid?
The InChIKey is ANCNGABQPYISDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3/c9-5-1-4(3-10)7(11)6(2-5)8(12)13/h1-2,11H,(H,12,13).
What are the key properties of 5-chloro-3-cyano-2-hydroxybenzoic acid?
5-chloro-3-cyano-2-hydroxybenzoic acid has a molecular weight of 197.58 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyano-2-hydroxybenzoic acid is sourced from PubChem (CID 130981649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).