2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid

C16H13ClN2O2 — CID 3067329

IUPAC2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-n2cc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10(16(20)21)11-6-7-15(13(17)8-11)19-9-12-4-2-3-5-14(12)18-19/h2-10H,1H3,(H,20,21)
InChIKeyJHZPUEXHPKHEJJ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.87
Rot. Bonds3

About 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid

2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid (PubChem CID 3067329) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid
PubChem CID3067329
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-n2cc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-10(16(20)21)11-6-7-15(13(17)8-11)19-9-12-4-2-3-5-14(12)18-19/h2-10H,1H3,(H,20,21)
InChIKeyJHZPUEXHPKHEJJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid (CID 3067329) is 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-n2cc3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid?
The InChIKey is JHZPUEXHPKHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10(16(20)21)11-6-7-15(13(17)8-11)19-9-12-4-2-3-5-14(12)18-19/h2-10H,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid?
2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid has a molecular weight of 300.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-indazol-2-ylphenyl)propanoic acid is sourced from PubChem (CID 3067329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).