5-fluoro-2-pyrazol-1-ylbenzoic acid

C10H7FN2O2 — CID 43313084

IUPAC5-fluoro-2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(F)ccc1-n1cccn1
InChIInChI=1S/C10H7FN2O2/c11-7-2-3-9(8(6-7)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKeyBTTTZTDHHFSDKD-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.71
Rot. Bonds2

About 5-fluoro-2-pyrazol-1-ylbenzoic acid

5-fluoro-2-pyrazol-1-ylbenzoic acid (PubChem CID 43313084) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-2-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-pyrazol-1-ylbenzoic acid
PubChem CID43313084
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(F)ccc1-n1cccn1
InChIInChI=1S/C10H7FN2O2/c11-7-2-3-9(8(6-7)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKeyBTTTZTDHHFSDKD-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrazol-1-ylbenzoic acid?
The IUPAC name of 5-fluoro-2-pyrazol-1-ylbenzoic acid (CID 43313084) is 5-fluoro-2-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 5-fluoro-2-pyrazol-1-ylbenzoic acid is O=C(O)c1cc(F)ccc1-n1cccn1.
What is the InChIKey of 5-fluoro-2-pyrazol-1-ylbenzoic acid?
The InChIKey is BTTTZTDHHFSDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-2-3-9(8(6-7)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15).
What are the key properties of 5-fluoro-2-pyrazol-1-ylbenzoic acid?
5-fluoro-2-pyrazol-1-ylbenzoic acid has a molecular weight of 206.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 43313084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).