2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid

C14H8ClNO3 — CID 53220181

IUPAC2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
SMILESN#Cc1cc(-c2ccc(Cl)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H8ClNO3/c15-12-3-1-9(6-11(12)14(18)19)8-2-4-13(17)10(5-8)7-16/h1-6,17H,(H,18,19)
InChIKeyMXLKBNKNNOUUSC-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.28
Rot. Bonds2

About 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid

2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid (PubChem CID 53220181) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
PubChem CID53220181
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
SMILESN#Cc1cc(-c2ccc(Cl)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H8ClNO3/c15-12-3-1-9(6-11(12)14(18)19)8-2-4-13(17)10(5-8)7-16/h1-6,17H,(H,18,19)
InChIKeyMXLKBNKNNOUUSC-UHFFFAOYSA-N
XLogP3.28
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218381
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128
2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide
CID 53220170
2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
CID 53219834
3-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218380
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913
2-chloro-5-(5-cyanothiophen-2-yl)benzoic acid
CID 62065584
2-chloro-5-(4-hydroxy-3-nitrophenyl)benzonitrile
CID 53221678
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
3-(4-chloro-3-cyanophenyl)-2-methylbenzoic acid
CID 53227174
3-(3-cyano-4-hydroxyphenyl)benzamide
CID 53219963
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid?
The IUPAC name of 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid (CID 53220181) is 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid is N#Cc1cc(-c2ccc(Cl)c(C(=O)O)c2)ccc1O.
What is the InChIKey of 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid?
The InChIKey is MXLKBNKNNOUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-12-3-1-9(6-11(12)14(18)19)8-2-4-13(17)10(5-8)7-16/h1-6,17H,(H,18,19).
What are the key properties of 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid?
2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid has a molecular weight of 273.68 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 53220181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).