5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid

C10H6ClFN2O2 — CID 146591907

IUPAC5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(Cl)c(F)cc1-n1cccn1
InChIInChI=1S/C10H6ClFN2O2/c11-7-4-6(10(15)16)9(5-8(7)12)14-3-1-2-13-14/h1-5H,(H,15,16)
InChIKeyASYJDGJVQJISMK-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.36
Rot. Bonds2

About 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid

5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid (PubChem CID 146591907) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid
PubChem CID146591907
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(Cl)c(F)cc1-n1cccn1
InChIInChI=1S/C10H6ClFN2O2/c11-7-4-6(10(15)16)9(5-8(7)12)14-3-1-2-13-14/h1-5H,(H,15,16)
InChIKeyASYJDGJVQJISMK-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid?
The IUPAC name of 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid (CID 146591907) is 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid is O=C(O)c1cc(Cl)c(F)cc1-n1cccn1.
What is the InChIKey of 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid?
The InChIKey is ASYJDGJVQJISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-7-4-6(10(15)16)9(5-8(7)12)14-3-1-2-13-14/h1-5H,(H,15,16).
What are the key properties of 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid?
5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid has a molecular weight of 240.62 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 146591907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).