5-(2-chlorophenyl)-2-cyanobenzoic acid

C14H8ClNO2 — CID 174620913

IUPAC5-(2-chlorophenyl)-2-cyanobenzoic acid
SMILESN#Cc1ccc(-c2ccccc2Cl)cc1C(=O)O
InChIInChI=1S/C14H8ClNO2/c15-13-4-2-1-3-11(13)9-5-6-10(8-16)12(7-9)14(17)18/h1-7H,(H,17,18)
InChIKeyIFOADBZRNYENOL-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.58
Rot. Bonds2

About 5-(2-chlorophenyl)-2-cyanobenzoic acid

5-(2-chlorophenyl)-2-cyanobenzoic acid (PubChem CID 174620913) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-cyanobenzoic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-cyanobenzoic acid
PubChem CID174620913
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name5-(2-chlorophenyl)-2-cyanobenzoic acid
SMILESN#Cc1ccc(-c2ccccc2Cl)cc1C(=O)O
InChIInChI=1S/C14H8ClNO2/c15-13-4-2-1-3-11(13)9-5-6-10(8-16)12(7-9)14(17)18/h1-7H,(H,17,18)
InChIKeyIFOADBZRNYENOL-UHFFFAOYSA-N
XLogP3.58
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
CID 53227197
3-(4-chloro-3-cyanophenyl)-2-methylbenzoic acid
CID 53227174
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
CID 53220181
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306172
4-(2-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684094
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176
2-(3-chloro-4-cyanophenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679856
2-cyano-5-methylbenzoic acid
CID 66570727
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-cyanobenzoic acid?
The IUPAC name of 5-(2-chlorophenyl)-2-cyanobenzoic acid (CID 174620913) is 5-(2-chlorophenyl)-2-cyanobenzoic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-2-cyanobenzoic acid?
The canonical SMILES for 5-(2-chlorophenyl)-2-cyanobenzoic acid is N#Cc1ccc(-c2ccccc2Cl)cc1C(=O)O.
What is the InChIKey of 5-(2-chlorophenyl)-2-cyanobenzoic acid?
The InChIKey is IFOADBZRNYENOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-13-4-2-1-3-11(13)9-5-6-10(8-16)12(7-9)14(17)18/h1-7H,(H,17,18).
What are the key properties of 5-(2-chlorophenyl)-2-cyanobenzoic acid?
5-(2-chlorophenyl)-2-cyanobenzoic acid has a molecular weight of 257.68 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-cyanobenzoic acid is sourced from PubChem (CID 174620913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).