6-bromo-1H-indole-3-carboxamide

C9H7BrN2O — CID 57035201

IUPAC6-bromo-1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C9H7BrN2O/c10-5-1-2-6-7(9(11)13)4-12-8(6)3-5/h1-4,12H,(H2,11,13)
InChIKeyAMXYSNSYZLSJES-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.03
Rot. Bonds1

About 6-bromo-1H-indole-3-carboxamide

6-bromo-1H-indole-3-carboxamide (PubChem CID 57035201) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-1H-indole-3-carboxamide
PubChem CID57035201
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C9H7BrN2O/c10-5-1-2-6-7(9(11)13)4-12-8(6)3-5/h1-4,12H,(H2,11,13)
InChIKeyAMXYSNSYZLSJES-UHFFFAOYSA-N
XLogP2.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole-3-carboxamide?
The IUPAC name of 6-bromo-1H-indole-3-carboxamide (CID 57035201) is 6-bromo-1H-indole-3-carboxamide.
What is the SMILES notation for 6-bromo-1H-indole-3-carboxamide?
The canonical SMILES for 6-bromo-1H-indole-3-carboxamide is NC(=O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1H-indole-3-carboxamide?
The InChIKey is AMXYSNSYZLSJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-5-1-2-6-7(9(11)13)4-12-8(6)3-5/h1-4,12H,(H2,11,13).
What are the key properties of 6-bromo-1H-indole-3-carboxamide?
6-bromo-1H-indole-3-carboxamide has a molecular weight of 239.07 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indole-3-carboxamide is sourced from PubChem (CID 57035201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).