3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid

C14H8FNO3 — CID 53226098

IUPAC3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid
SMILESN#Cc1cccc(-c2cc(O)cc(C(=O)O)c2)c1F
InChIInChI=1S/C14H8FNO3/c15-13-8(7-16)2-1-3-12(13)9-4-10(14(18)19)6-11(17)5-9/h1-6,17H,(H,18,19)
InChIKeyDADCXPLLOSOEIG-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.77
Rot. Bonds2

About 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid

3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid (PubChem CID 53226098) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid
PubChem CID53226098
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid
SMILESN#Cc1cccc(-c2cc(O)cc(C(=O)O)c2)c1F
InChIInChI=1S/C14H8FNO3/c15-13-8(7-16)2-1-3-12(13)9-4-10(14(18)19)6-11(17)5-9/h1-6,17H,(H,18,19)
InChIKeyDADCXPLLOSOEIG-UHFFFAOYSA-N
XLogP2.77
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-cyanophenyl)benzene-1,3-dicarboxylic acid
CID 70203209
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
CID 53223141
3-(2-cyano-3-fluorophenyl)-5-fluorobenzoic acid
CID 103186678
3-(2,3-difluorophenyl)-5-hydroxybenzonitrile
CID 53219944
3-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
3-amino-5-(2,3-difluorophenyl)benzoic acid
CID 53225919
3-(3-cyano-2-fluorophenyl)-2-methoxybenzoic acid
CID 53226109
3-(2,3-difluorophenyl)-5-nitrobenzoic acid
CID 53225943
3-hydroxy-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226391
5-(2-cyanophenyl)pyridine-3-carboxylic acid
CID 50999377
3-amino-4-[(3-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107118752

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid?
The IUPAC name of 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid (CID 53226098) is 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid.
What is the SMILES notation for 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid?
The canonical SMILES for 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid is N#Cc1cccc(-c2cc(O)cc(C(=O)O)c2)c1F.
What is the InChIKey of 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid?
The InChIKey is DADCXPLLOSOEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-13-8(7-16)2-1-3-12(13)9-4-10(14(18)19)6-11(17)5-9/h1-6,17H,(H,18,19).
What are the key properties of 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid?
3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid has a molecular weight of 257.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-2-fluorophenyl)-5-hydroxybenzoic acid is sourced from PubChem (CID 53226098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).