2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide

C9H6BrClN2O2 — CID 129283462

IUPAC2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide
SMILESO=C(NO)c1ccc2c(Cl)c(Br)[nH]c2c1
InChIInChI=1S/C9H6BrClN2O2/c10-8-7(11)5-2-1-4(9(14)13-15)3-6(5)12-8/h1-3,12,15H,(H,13,14)
InChIKeyVJZZEVABRIDARR-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.70
Rot. Bonds1

About 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide

2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide (PubChem CID 129283462) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide
PubChem CID129283462
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Name2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide
SMILESO=C(NO)c1ccc2c(Cl)c(Br)[nH]c2c1
InChIInChI=1S/C9H6BrClN2O2/c10-8-7(11)5-2-1-4(9(14)13-15)3-6(5)12-8/h1-3,12,15H,(H,13,14)
InChIKeyVJZZEVABRIDARR-UHFFFAOYSA-N
XLogP2.70
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide?
The IUPAC name of 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide (CID 129283462) is 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide.
What is the SMILES notation for 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide?
The canonical SMILES for 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide is O=C(NO)c1ccc2c(Cl)c(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide?
The InChIKey is VJZZEVABRIDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c10-8-7(11)5-2-1-4(9(14)13-15)3-6(5)12-8/h1-3,12,15H,(H,13,14).
What are the key properties of 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide?
2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide has a molecular weight of 289.52 g/mol, XLogP of 2.70, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide is sourced from PubChem (CID 129283462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).