1-benzylindazole-4-carbonyl chloride

C15H11ClN2O — CID 88925146

IUPAC1-benzylindazole-4-carbonyl chloride
SMILESO=C(Cl)c1cccc2c1cnn2Cc1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-15(19)12-7-4-8-14-13(12)9-17-18(14)10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeySUYKDWPNPJJUSW-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.46
Rot. Bonds3

About 1-benzylindazole-4-carbonyl chloride

1-benzylindazole-4-carbonyl chloride (PubChem CID 88925146) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-benzylindazole-4-carbonyl chloride.

Molecular Properties

Compound Name1-benzylindazole-4-carbonyl chloride
PubChem CID88925146
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name1-benzylindazole-4-carbonyl chloride
SMILESO=C(Cl)c1cccc2c1cnn2Cc1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-15(19)12-7-4-8-14-13(12)9-17-18(14)10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeySUYKDWPNPJJUSW-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzylindazole-4-carbonyl chloride?
The IUPAC name of 1-benzylindazole-4-carbonyl chloride (CID 88925146) is 1-benzylindazole-4-carbonyl chloride.
What is the SMILES notation for 1-benzylindazole-4-carbonyl chloride?
The canonical SMILES for 1-benzylindazole-4-carbonyl chloride is O=C(Cl)c1cccc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzylindazole-4-carbonyl chloride?
The InChIKey is SUYKDWPNPJJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-15(19)12-7-4-8-14-13(12)9-17-18(14)10-11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 1-benzylindazole-4-carbonyl chloride?
1-benzylindazole-4-carbonyl chloride has a molecular weight of 270.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindazole-4-carbonyl chloride is sourced from PubChem (CID 88925146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).