3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid

C11H12FNO3 — CID 117322920

IUPAC3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
SMILESO=C(O)c1cc(C2CCCN2)cc(F)c1O
InChIInChI=1S/C11H12FNO3/c12-8-5-6(9-2-1-3-13-9)4-7(10(8)14)11(15)16/h4-5,9,13-14H,1-3H2,(H,15,16)
InChIKeyPDZUBKLBVRMFLH-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.65
Rot. Bonds2

About 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid

3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid (PubChem CID 117322920) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
PubChem CID117322920
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
SMILESO=C(O)c1cc(C2CCCN2)cc(F)c1O
InChIInChI=1S/C11H12FNO3/c12-8-5-6(9-2-1-3-13-9)4-7(10(8)14)11(15)16/h4-5,9,13-14H,1-3H2,(H,15,16)
InChIKeyPDZUBKLBVRMFLH-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic 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

2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
3-fluoro-2-hydroxy-5-(pyrrolidin-2-ylmethyl)benzoic acid
CID 117350354
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
3-fluoro-5-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 162344515
3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
CID 131871286
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid?
The IUPAC name of 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid (CID 117322920) is 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid?
The canonical SMILES for 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid is O=C(O)c1cc(C2CCCN2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid?
The InChIKey is PDZUBKLBVRMFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-5-6(9-2-1-3-13-9)4-7(10(8)14)11(15)16/h4-5,9,13-14H,1-3H2,(H,15,16).
What are the key properties of 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid?
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid is sourced from PubChem (CID 117322920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).