2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone

C10H7BrN2O3 — CID 43308931

IUPAC2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
SMILESO=C(CBr)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H7BrN2O3/c11-4-10(14)8-5-12-9-3-6(13(15)16)1-2-7(8)9/h1-3,5,12H,4H2
InChIKeyOVWFMBKZJHZCSY-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.65
Rot. Bonds3

About 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone

2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone (PubChem CID 43308931) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
PubChem CID43308931
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
SMILESO=C(CBr)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H7BrN2O3/c11-4-10(14)8-5-12-9-3-6(13(15)16)1-2-7(8)9/h1-3,5,12H,4H2
InChIKeyOVWFMBKZJHZCSY-UHFFFAOYSA-N
XLogP2.65
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,4-trimethyl-1-(6-nitro-1H-indol-3-yl)pentan-1-one
CID 63834645
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968
2-methyl-1-(6-nitro-1H-indol-3-yl)butan-1-one
CID 43308954
3-bromo-6-nitro-1H-indole
CID 14707934
(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
CID 43308958
(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 43463851
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
CID 65237307
(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-(6-nitro-1H-indol-3-yl)methanone
CID 136526527
2-(2-bromoacetyl)-5-nitrobenzonitrile
CID 88928904

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone (CID 43308931) is 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone is O=C(CBr)c1c[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone?
The InChIKey is OVWFMBKZJHZCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-4-10(14)8-5-12-9-3-6(13(15)16)1-2-7(8)9/h1-3,5,12H,4H2.
What are the key properties of 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone?
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone has a molecular weight of 283.08 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 43308931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).