2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid

C10H7FN2O2 — CID 171797986

IUPAC2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1c(F)cccc1-c1ccn[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(9(7)10(14)15)8-4-5-12-13-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyMPRKGTYLSSQWRF-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.91
Rot. Bonds2

About 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid

2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid (PubChem CID 171797986) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid
PubChem CID171797986
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1c(F)cccc1-c1ccn[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(9(7)10(14)15)8-4-5-12-13-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyMPRKGTYLSSQWRF-UHFFFAOYSA-N
XLogP1.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-(1H-pyrazol-5-yl)benzoic 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-3-(1H-pyrazol-5-yl)benzoic acid
CID 163206772
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 154069923
2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide
CID 66774318
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
5-(2-fluoro-3-methylphenyl)-1H-pyrazole
CID 83808322
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297
2-fluoro-6-methylbenzoic acid
CID 13478132

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid?
The IUPAC name of 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid (CID 171797986) is 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid?
The canonical SMILES for 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid is O=C(O)c1c(F)cccc1-c1ccn[nH]1.
What is the InChIKey of 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid?
The InChIKey is MPRKGTYLSSQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(9(7)10(14)15)8-4-5-12-13-8/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid?
2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid has a molecular weight of 206.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1H-pyrazol-5-yl)benzoic acid is sourced from PubChem (CID 171797986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).