5-bromo-7-nitro-1H-indole-2-carboxamide

C9H6BrN3O3 — CID 57476242

IUPAC5-bromo-7-nitro-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(Br)cc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C9H6BrN3O3/c10-5-1-4-2-6(9(11)14)12-8(4)7(3-5)13(15)16/h1-3,12H,(H2,11,14)
InChIKeyCRDKHQBJMDVLRT-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.94
Rot. Bonds2

About 5-bromo-7-nitro-1H-indole-2-carboxamide

5-bromo-7-nitro-1H-indole-2-carboxamide (PubChem CID 57476242) has the molecular formula C9H6BrN3O3 and a molecular weight of 284.07 g/mol. Its IUPAC name is 5-bromo-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-7-nitro-1H-indole-2-carboxamide
PubChem CID57476242
Molecular FormulaC9H6BrN3O3
Molecular Weight284.07 g/mol
Exact Mass282.96
IUPAC Name5-bromo-7-nitro-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(Br)cc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C9H6BrN3O3/c10-5-1-4-2-6(9(11)14)12-8(4)7(3-5)13(15)16/h1-3,12H,(H2,11,14)
InChIKeyCRDKHQBJMDVLRT-UHFFFAOYSA-N
XLogP1.94
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-nitro-N-phenethyl-1H-indole-2-carboxamide
CID 2823659
N-(4-methylphenyl)-7-nitro-1H-indole-2-carboxamide
CID 2742708
N-(4-fluoro-3-methylphenyl)-7-nitro-1H-indole-2-carboxamide
CID 2823662
6-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 118648754
5-bromo-1H-indole-2-carboxamide
CID 4777875
5-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-indole-2-carboxamide
CID 44299452
N-butyl-7-nitro-1H-indole-2-carboxamide
CID 2823660
N-(2-butan-2-ylphenyl)-7-nitro-1H-indole-2-carboxamide
CID 2823667
N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 29199609
6-bromo-1H-indole-2-carboxamide
CID 4777757
4-bromo-1H-indole-2-carboxamide
CID 59151273
5-bromo-N-methyl-1H-indole-2-carboxamide
CID 47154795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-7-nitro-1H-indole-2-carboxamide (CID 57476242) is 5-bromo-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-7-nitro-1H-indole-2-carboxamide is NC(=O)c1cc2cc(Br)cc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of 5-bromo-7-nitro-1H-indole-2-carboxamide?
The InChIKey is CRDKHQBJMDVLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c10-5-1-4-2-6(9(11)14)12-8(4)7(3-5)13(15)16/h1-3,12H,(H2,11,14).
What are the key properties of 5-bromo-7-nitro-1H-indole-2-carboxamide?
5-bromo-7-nitro-1H-indole-2-carboxamide has a molecular weight of 284.07 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 57476242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).