2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid

C11H9FN2O2 — CID 67983245

IUPAC2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid
SMILESCc1ccc(-n2cccn2)c(C(=O)O)c1F
InChIInChI=1S/C11H9FN2O2/c1-7-3-4-8(14-6-2-5-13-14)9(10(7)12)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyCVQLBTJGNXCLTG-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.02
Rot. Bonds2

About 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid

2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid (PubChem CID 67983245) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid
PubChem CID67983245
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid
SMILESCc1ccc(-n2cccn2)c(C(=O)O)c1F
InChIInChI=1S/C11H9FN2O2/c1-7-3-4-8(14-6-2-5-13-14)9(10(7)12)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyCVQLBTJGNXCLTG-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-3-methyl-6-pyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid?
The IUPAC name of 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid (CID 67983245) is 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid is Cc1ccc(-n2cccn2)c(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid?
The InChIKey is CVQLBTJGNXCLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-3-4-8(14-6-2-5-13-14)9(10(7)12)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid?
2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid has a molecular weight of 220.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-6-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 67983245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).