2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid

C10H7FN2O2 — CID 163206772

IUPAC2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccn[nH]2)c1F
InChIInChI=1S/C10H7FN2O2/c11-9-6(8-4-5-12-13-8)2-1-3-7(9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeySGRHIJIHKZQZQC-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.91
Rot. Bonds2

About 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid

2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid (PubChem CID 163206772) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid
PubChem CID163206772
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccn[nH]2)c1F
InChIInChI=1S/C10H7FN2O2/c11-9-6(8-4-5-12-13-8)2-1-3-7(9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeySGRHIJIHKZQZQC-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

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Related Compounds

3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 940540
3-(1H-pyrazol-3-yl)benzoic acid
CID 2795542
3-(1H-pyrazol-4-yl)benzoic Acid
CID 7174253
3-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3465472
3-phenyl-1H-pyrazole-4-carboxylic acid
CID 4138562
3-(6-fluoro-1H-indazol-3-yl)benzoic acid
CID 164610505
4-phenyl-1H-pyrazole-3-carboxylic acid
CID 347194
3-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 1085886
1H-Indazole-5-carboxylic acid
CID 4248454
1H-Indazole-7-carboxylic acid
CID 12639205
3-[(4-methylbenzoyl)amino]-5-(1H-pyrazol-5-yl)benzoic acid
CID 164611449
5-(3-Fluorobenzyl)-1H-pyrazole-3-carboxylic acid
CID 11557600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid?
The IUPAC name of 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid (CID 163206772) is 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid is O=C(O)c1cccc(-c2ccn[nH]2)c1F.
What is the InChIKey of 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid?
The InChIKey is SGRHIJIHKZQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-9-6(8-4-5-12-13-8)2-1-3-7(9)10(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid?
2-fluoro-3-(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-3-(1H-pyrazol-5-yl)benzoic acid is sourced from PubChem (CID 163206772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).