3-(4-bromophenyl)-2-phenyl-2H-azirine

C14H10BrN — CID 141497719

IUPAC3-(4-bromophenyl)-2-phenyl-2H-azirine
SMILESBrc1ccc(C2=NC2c2ccccc2)cc1
InChIInChI=1S/C14H10BrN/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13H
InChIKeyWWVCJOJSHHNULS-UHFFFAOYSA-N
MW272.15 g/mol
LogP3.99
Rot. Bonds2

About 3-(4-bromophenyl)-2-phenyl-2H-azirine

3-(4-bromophenyl)-2-phenyl-2H-azirine (PubChem CID 141497719) has the molecular formula C14H10BrN and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-phenyl-2H-azirine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-phenyl-2H-azirine
PubChem CID141497719
Molecular FormulaC14H10BrN
Molecular Weight272.15 g/mol
Exact Mass271.00
IUPAC Name3-(4-bromophenyl)-2-phenyl-2H-azirine
SMILESBrc1ccc(C2=NC2c2ccccc2)cc1
InChIInChI=1S/C14H10BrN/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13H
InChIKeyWWVCJOJSHHNULS-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3-Diphenyl-2H-azirine
CID 140090
p-Bromobenzylidene-benzyl-amine
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(4-Bromophenyl)(phenyl)methanamine hydrochloride
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3-(4-Bromophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
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N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
p-Bromobenzylidene-cyclohexyl-amine
CID 525667
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300
(4-Bromophenyl)(phenyl)methanamine
CID 350040
N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-phenyl-2H-azirine?
The IUPAC name of 3-(4-bromophenyl)-2-phenyl-2H-azirine (CID 141497719) is 3-(4-bromophenyl)-2-phenyl-2H-azirine.
What is the SMILES notation for 3-(4-bromophenyl)-2-phenyl-2H-azirine?
The canonical SMILES for 3-(4-bromophenyl)-2-phenyl-2H-azirine is Brc1ccc(C2=NC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-phenyl-2H-azirine?
The InChIKey is WWVCJOJSHHNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13H.
What are the key properties of 3-(4-bromophenyl)-2-phenyl-2H-azirine?
3-(4-bromophenyl)-2-phenyl-2H-azirine has a molecular weight of 272.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-phenyl-2H-azirine is sourced from PubChem (CID 141497719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).