2-fluoro-6-pyridin-3-ylbenzoic acid

C12H8FNO2 — CID 46315544

IUPAC2-fluoro-6-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1c(F)cccc1-c1cccnc1
InChIInChI=1S/C12H8FNO2/c13-10-5-1-4-9(11(10)12(15)16)8-3-2-6-14-7-8/h1-7H,(H,15,16)
InChIKeyIHCRTWNXBTWMCM-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

About 2-fluoro-6-pyridin-3-ylbenzoic acid

2-fluoro-6-pyridin-3-ylbenzoic acid (PubChem CID 46315544) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-fluoro-6-pyridin-3-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-6-pyridin-3-ylbenzoic acid
PubChem CID46315544
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name2-fluoro-6-pyridin-3-ylbenzoic acid
SMILESO=C(O)c1c(F)cccc1-c1cccnc1
InChIInChI=1S/C12H8FNO2/c13-10-5-1-4-9(11(10)12(15)16)8-3-2-6-14-7-8/h1-7H,(H,15,16)
InChIKeyIHCRTWNXBTWMCM-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-pyridin-3-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-6-pyridin-3-ylphenyl)methanol
CID 46315600
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
2-(3-fluoro-2-pyridin-3-ylphenyl)acetic acid
CID 46315774
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid
CID 171797986
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
2-amino-4-pyridin-3-ylthiophene-3-carboxylic acid
CID 70232661
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-pyridin-3-ylbenzoic acid?
The IUPAC name of 2-fluoro-6-pyridin-3-ylbenzoic acid (CID 46315544) is 2-fluoro-6-pyridin-3-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-6-pyridin-3-ylbenzoic acid?
The canonical SMILES for 2-fluoro-6-pyridin-3-ylbenzoic acid is O=C(O)c1c(F)cccc1-c1cccnc1.
What is the InChIKey of 2-fluoro-6-pyridin-3-ylbenzoic acid?
The InChIKey is IHCRTWNXBTWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-10-5-1-4-9(11(10)12(15)16)8-3-2-6-14-7-8/h1-7H,(H,15,16).
What are the key properties of 2-fluoro-6-pyridin-3-ylbenzoic acid?
2-fluoro-6-pyridin-3-ylbenzoic acid has a molecular weight of 217.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyridin-3-ylbenzoic acid is sourced from PubChem (CID 46315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).