2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene

C7H4BrN — CID 123689820

IUPAC2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILESBrc1cccc2c1=CN=2
InChIInChI=1S/C7H4BrN/c8-6-2-1-3-7-5(6)4-9-7/h1-4H
InChIKeyLEOFVJIOXUXSPF-UHFFFAOYSA-N
MW182.02 g/mol
LogP0.82
Rot. Bonds

About 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene

2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene (PubChem CID 123689820) has the molecular formula C7H4BrN and a molecular weight of 182.02 g/mol. Its IUPAC name is 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene.

Molecular Properties

Compound Name2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
PubChem CID123689820
Molecular FormulaC7H4BrN
Molecular Weight182.02 g/mol
Exact Mass180.95
IUPAC Name2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILESBrc1cccc2c1=CN=2
InChIInChI=1S/C7H4BrN/c8-6-2-1-3-7-5(6)4-9-7/h1-4H
InChIKeyLEOFVJIOXUXSPF-UHFFFAOYSA-N
XLogP0.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.02
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-7H-indole
CID 70188845
4-Methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123188555
3-Methyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123936336
2-Bromo-3-propan-2-yl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 142595554
(6Z)-2-bromo-N-ethenyl-6-ethylidene-3,4-dimethylcyclohexa-2,4-dien-1-imine
CID 143987263
7-bromo-8H-quinoline
CID 148240260
2-[(1E,3Z)-1-bromopenta-1,3-dienyl]-4-methylidene-3H-pyridine
CID 155274552
8-Bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 11715290
2,8-Dibromobenzo[c][1,5]benzodiazocine
CID 102228628
2-Bromobenzo[c][1,5]benzodiazocine
CID 102228634
(4Z)-N-[(E)-2-bromoprop-1-enyl]-3-methylidenehepta-4,6-dien-2-imine
CID 143708002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The IUPAC name of 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene (CID 123689820) is 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene.
What is the SMILES notation for 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The canonical SMILES for 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene is Brc1cccc2c1=CN=2.
What is the InChIKey of 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
The InChIKey is LEOFVJIOXUXSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN/c8-6-2-1-3-7-5(6)4-9-7/h1-4H.
What are the key properties of 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene?
2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene has a molecular weight of 182.02 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene is sourced from PubChem (CID 123689820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).