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

C10H7FN2O2 — CID 67086609

IUPAC3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1ccn[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(10(14)15)9(7)8-4-5-12-13-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyGTIDPPSUQCIPHI-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.91
Rot. Bonds2

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

3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid (PubChem CID 67086609) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid
PubChem CID67086609
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1ccn[nH]1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-2-6(10(14)15)9(7)8-4-5-12-13-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyGTIDPPSUQCIPHI-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid (CID 67086609) is 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid is O=C(O)c1cccc(F)c1-c1ccn[nH]1.
What is the InChIKey of 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid?
The InChIKey is GTIDPPSUQCIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(10(14)15)9(7)8-4-5-12-13-8/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid?
3-fluoro-2-(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 3-fluoro-2-(1H-pyrazol-5-yl)benzoic acid is sourced from PubChem (CID 67086609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).