2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine

C15H12N2O3 — CID 102257808

IUPAC2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
SMILESCOc1ccc(C2N=C2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O3/c1-20-13-8-4-11(5-9-13)15-14(16-15)10-2-6-12(7-3-10)17(18)19/h2-9,15H,1H3
InChIKeyDORGJIWUTRYQMU-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine

2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine (PubChem CID 102257808) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
PubChem CID102257808
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
SMILESCOc1ccc(C2N=C2c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O3/c1-20-13-8-4-11(5-9-13)15-14(16-15)10-2-6-12(7-3-10)17(18)19/h2-9,15H,1H3
InChIKeyDORGJIWUTRYQMU-UHFFFAOYSA-N
XLogP3.15
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2S,3S,4S)-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate
CID 162406946
5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 134940970
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3,4-dione
CID 15351216
(2S)-2-(4-methoxyphenyl)-6,6-dimethyl-1-(4-nitrophenyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 134832293
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
CID 14225908
3,5-bis(4-methoxyphenyl)-2-(4-nitrophenyl)sulfonyl-3,4-dihydropyrazole
CID 154637016
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine (CID 102257808) is 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine is COc1ccc(C2N=C2c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine?
The InChIKey is DORGJIWUTRYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-13-8-4-11(5-9-13)15-14(16-15)10-2-6-12(7-3-10)17(18)19/h2-9,15H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine?
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine has a molecular weight of 268.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine is sourced from PubChem (CID 102257808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).