2-chloro-3-(1H-pyrazol-4-yl)benzoic acid

C10H7ClN2O2 — CID 155573329

IUPAC2-chloro-3-(1H-pyrazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2cn[nH]c2)c1Cl
InChIInChI=1S/C10H7ClN2O2/c11-9-7(6-4-12-13-5-6)2-1-3-8(9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyGUZGFKPRZFYJJT-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.43
Rot. Bonds2

About 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid

2-chloro-3-(1H-pyrazol-4-yl)benzoic acid (PubChem CID 155573329) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-3-(1H-pyrazol-4-yl)benzoic acid
PubChem CID155573329
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-3-(1H-pyrazol-4-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2cn[nH]c2)c1Cl
InChIInChI=1S/C10H7ClN2O2/c11-9-7(6-4-12-13-5-6)2-1-3-8(9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyGUZGFKPRZFYJJT-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid?
The IUPAC name of 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid (CID 155573329) is 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid is O=C(O)c1cccc(-c2cn[nH]c2)c1Cl.
What is the InChIKey of 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid?
The InChIKey is GUZGFKPRZFYJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-7(6-4-12-13-5-6)2-1-3-8(9)10(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid?
2-chloro-3-(1H-pyrazol-4-yl)benzoic acid has a molecular weight of 222.63 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1H-pyrazol-4-yl)benzoic acid is sourced from PubChem (CID 155573329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).