2-bromo-7-nitro-2,3-dihydro-1H-indole

C8H7BrN2O2 — CID 18519584

IUPAC2-bromo-7-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cccc2c1NC(Br)C2
InChIInChI=1S/C8H7BrN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-3,7,10H,4H2
InChIKeyGBLBLGRXVFNXHS-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.28
Rot. Bonds1

About 2-bromo-7-nitro-2,3-dihydro-1H-indole

2-bromo-7-nitro-2,3-dihydro-1H-indole (PubChem CID 18519584) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-bromo-7-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-bromo-7-nitro-2,3-dihydro-1H-indole
PubChem CID18519584
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name2-bromo-7-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cccc2c1NC(Br)C2
InChIInChI=1S/C8H7BrN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-3,7,10H,4H2
InChIKeyGBLBLGRXVFNXHS-UHFFFAOYSA-N
XLogP2.28
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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

2-chloro-7-nitro-2,3-dihydro-1H-indole
CID 86253542
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CID 5122445
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CID 10846656
2,3-dimethyl-4-(3-methylbut-2-enyl)-9-nitro-1,2,3,5-tetrahydro-1,4-benzodiazepine
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(2S,3S)-2,3-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10376769
3,5-dimethyl-9-nitro-2,3-dihydro-1H-1,4-benzodiazepine
CID 135526954
(1R)-1-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130715072
(2R)-2-bromo-3,3-difluoro-7-nitro-1,2-dihydroindene
CID 125485498
8-nitro-1,2-dihydroquinoline
CID 11008448
7-nitro-2,3-dihydroinden-1-one
CID 45072698
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CID 157106778
(3S)-7-nitro-3-propan-2-yl-2,3-dihydro-1H-indole
CID 124680905

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 2-bromo-7-nitro-2,3-dihydro-1H-indole (CID 18519584) is 2-bromo-7-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-bromo-7-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-bromo-7-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1cccc2c1NC(Br)C2.
What is the InChIKey of 2-bromo-7-nitro-2,3-dihydro-1H-indole?
The InChIKey is GBLBLGRXVFNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-3,7,10H,4H2.
What are the key properties of 2-bromo-7-nitro-2,3-dihydro-1H-indole?
2-bromo-7-nitro-2,3-dihydro-1H-indole has a molecular weight of 243.06 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 18519584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).