2-chloro-1H-indole-6-carbonyl chloride

C9H5Cl2NO — CID 86041596

IUPAC2-chloro-1H-indole-6-carbonyl chloride
SMILESO=C(Cl)c1ccc2cc(Cl)[nH]c2c1
InChIInChI=1S/C9H5Cl2NO/c10-8-4-5-1-2-6(9(11)13)3-7(5)12-8/h1-4,12H
InChIKeyHHIZXYRKYWDZQX-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.20
Rot. Bonds1

About 2-chloro-1H-indole-6-carbonyl chloride

2-chloro-1H-indole-6-carbonyl chloride (PubChem CID 86041596) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 2-chloro-1H-indole-6-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-1H-indole-6-carbonyl chloride
PubChem CID86041596
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name2-chloro-1H-indole-6-carbonyl chloride
SMILESO=C(Cl)c1ccc2cc(Cl)[nH]c2c1
InChIInChI=1S/C9H5Cl2NO/c10-8-4-5-1-2-6(9(11)13)3-7(5)12-8/h1-4,12H
InChIKeyHHIZXYRKYWDZQX-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-chloro-1H-indole-6-carbonyl chloride?
The IUPAC name of 2-chloro-1H-indole-6-carbonyl chloride (CID 86041596) is 2-chloro-1H-indole-6-carbonyl chloride.
What is the SMILES notation for 2-chloro-1H-indole-6-carbonyl chloride?
The canonical SMILES for 2-chloro-1H-indole-6-carbonyl chloride is O=C(Cl)c1ccc2cc(Cl)[nH]c2c1.
What is the InChIKey of 2-chloro-1H-indole-6-carbonyl chloride?
The InChIKey is HHIZXYRKYWDZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-8-4-5-1-2-6(9(11)13)3-7(5)12-8/h1-4,12H.
What are the key properties of 2-chloro-1H-indole-6-carbonyl chloride?
2-chloro-1H-indole-6-carbonyl chloride has a molecular weight of 214.05 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-indole-6-carbonyl chloride is sourced from PubChem (CID 86041596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).