ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate

C11H10ClNO2 — CID 71574107

IUPACethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate
SMILESCCOC(=O)C1N=C1c1ccccc1Cl
InChIInChI=1S/C11H10ClNO2/c1-2-15-11(14)10-9(13-10)7-5-3-4-6-8(7)12/h3-6,10H,2H2,1H3
InChIKeySKZRUSRKDFQQSH-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.07
Rot. Bonds3

About ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate

ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate (PubChem CID 71574107) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate
PubChem CID71574107
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Nameethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate
SMILESCCOC(=O)C1N=C1c1ccccc1Cl
InChIInChI=1S/C11H10ClNO2/c1-2-15-11(14)10-9(13-10)7-5-3-4-6-8(7)12/h3-6,10H,2H2,1H3
InChIKeySKZRUSRKDFQQSH-UHFFFAOYSA-N
XLogP2.07
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate 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

ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
ethyl (2R)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 142588612
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 1-(4-methylphenyl)-4-oxo-3H-isoquinoline-3-carboxylate
CID 10935702
ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
CID 2737429
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
ethyl 2-(2-fluorophenyl)-5-oxo-4H-1,3-oxazole-4-carboxylate
CID 83547776
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate (CID 71574107) is ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate is CCOC(=O)C1N=C1c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate?
The InChIKey is SKZRUSRKDFQQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-9(13-10)7-5-3-4-6-8(7)12/h3-6,10H,2H2,1H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate?
ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate has a molecular weight of 223.66 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate is sourced from PubChem (CID 71574107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).