3-bromo-6-nitro-1H-indole

C8H5BrN2O2 — CID 14707934

IUPAC3-bromo-6-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2c(Br)c[nH]c2c1
InChIInChI=1S/C8H5BrN2O2/c9-7-4-10-8-3-5(11(12)13)1-2-6(7)8/h1-4,10H
InChIKeyCUHNSXKCMBQLRL-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.84
Rot. Bonds1

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

3-bromo-6-nitro-1H-indole (PubChem CID 14707934) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 3-bromo-6-nitro-1H-indole.

Molecular Properties

Compound Name3-bromo-6-nitro-1H-indole
PubChem CID14707934
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name3-bromo-6-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2c(Br)c[nH]c2c1
InChIInChI=1S/C8H5BrN2O2/c9-7-4-10-8-3-5(11(12)13)1-2-6(7)8/h1-4,10H
InChIKeyCUHNSXKCMBQLRL-UHFFFAOYSA-N
XLogP2.84
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-methyl-7-nitro-1H-quinolin-4-one
CID 10560102
sodium 6-nitro-1H-indole-3-sulfinate
CID 165450416
6-nitro-1H-indole-3-sulfonyl chloride
CID 14736087
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109
3-(methylsulfanylmethyl)-6-nitro-1H-indole
CID 23245098
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968
methyl (6-nitro-1H-indol-3-yl) carbonate
CID 57207350
1-bromo-2-(dibromomethyl)-4-nitrobenzene
CID 56647182
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-nitro-1H-indole?
The IUPAC name of 3-bromo-6-nitro-1H-indole (CID 14707934) is 3-bromo-6-nitro-1H-indole.
What is the SMILES notation for 3-bromo-6-nitro-1H-indole?
The canonical SMILES for 3-bromo-6-nitro-1H-indole is O=[N+]([O-])c1ccc2c(Br)c[nH]c2c1.
What is the InChIKey of 3-bromo-6-nitro-1H-indole?
The InChIKey is CUHNSXKCMBQLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-7-4-10-8-3-5(11(12)13)1-2-6(7)8/h1-4,10H.
What are the key properties of 3-bromo-6-nitro-1H-indole?
3-bromo-6-nitro-1H-indole has a molecular weight of 241.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-nitro-1H-indole is sourced from PubChem (CID 14707934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).