6-chloro-5-iodo-1H-indole-2-carboxamide

C9H6ClIN2O — CID 135396268

IUPAC6-chloro-5-iodo-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(I)c(Cl)cc2[nH]1
InChIInChI=1S/C9H6ClIN2O/c10-5-3-7-4(1-6(5)11)2-8(13-7)9(12)14/h1-3,13H,(H2,12,14)
InChIKeyNIVIXBAKTGPHOJ-UHFFFAOYSA-N
MW320.52 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-5-iodo-1H-indole-2-carboxamide

6-chloro-5-iodo-1H-indole-2-carboxamide (PubChem CID 135396268) has the molecular formula C9H6ClIN2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 6-chloro-5-iodo-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-iodo-1H-indole-2-carboxamide
PubChem CID135396268
Molecular FormulaC9H6ClIN2O
Molecular Weight320.52 g/mol
Exact Mass319.92
IUPAC Name6-chloro-5-iodo-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(I)c(Cl)cc2[nH]1
InChIInChI=1S/C9H6ClIN2O/c10-5-3-7-4(1-6(5)11)2-8(13-7)9(12)14/h1-3,13H,(H2,12,14)
InChIKeyNIVIXBAKTGPHOJ-UHFFFAOYSA-N
XLogP2.52
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-5-iodo-1H-indole-2-carboxamide (CID 135396268) is 6-chloro-5-iodo-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-5-iodo-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-5-iodo-1H-indole-2-carboxamide is NC(=O)c1cc2cc(I)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-5-iodo-1H-indole-2-carboxamide?
The InChIKey is NIVIXBAKTGPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O/c10-5-3-7-4(1-6(5)11)2-8(13-7)9(12)14/h1-3,13H,(H2,12,14).
What are the key properties of 6-chloro-5-iodo-1H-indole-2-carboxamide?
6-chloro-5-iodo-1H-indole-2-carboxamide has a molecular weight of 320.52 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-1H-indole-2-carboxamide is sourced from PubChem (CID 135396268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).