3-(4-chlorophenyl)-2H-azirine

C8H6ClN — CID 11768757

IUPAC3-(4-chlorophenyl)-2H-azirine
SMILESClc1ccc(C2=NC2)cc1
InChIInChI=1S/C8H6ClN/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4H,5H2
InChIKeyPZMYGWCVPNVGHF-UHFFFAOYSA-N
MW151.60 g/mol
LogP2.14
Rot. Bonds1

About 3-(4-chlorophenyl)-2H-azirine

3-(4-chlorophenyl)-2H-azirine (PubChem CID 11768757) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2H-azirine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2H-azirine
PubChem CID11768757
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name3-(4-chlorophenyl)-2H-azirine
SMILESClc1ccc(C2=NC2)cc1
InChIInChI=1S/C8H6ClN/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4H,5H2
InChIKeyPZMYGWCVPNVGHF-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-2H-azirine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chlorophenethyl) isothicyanate
CID 140257
[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
1-Chloro-4-(2-isocyanatoethyl)benzene
CID 12394724
6-(3-Chlorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026744
5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
3-Phenyl-2H-azirine
CID 275913
p-Chlorobenzylidene-butyl-amine
CID 300876
1-Chloro-4-(2-isocyanoethyl)benzene
CID 2757783
p-Chlorobenzylidene-cyclohexyl-amine
CID 525685
Phenethylamine, N-(p-chlorobenzylidene)-
CID 592516
3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
CID 122231187
4,4-Dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
CID 11010330

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2H-azirine?
The IUPAC name of 3-(4-chlorophenyl)-2H-azirine (CID 11768757) is 3-(4-chlorophenyl)-2H-azirine.
What is the SMILES notation for 3-(4-chlorophenyl)-2H-azirine?
The canonical SMILES for 3-(4-chlorophenyl)-2H-azirine is Clc1ccc(C2=NC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2H-azirine?
The InChIKey is PZMYGWCVPNVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4H,5H2.
What are the key properties of 3-(4-chlorophenyl)-2H-azirine?
3-(4-chlorophenyl)-2H-azirine has a molecular weight of 151.60 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2H-azirine is sourced from PubChem (CID 11768757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).