N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine

C9H7ClN2O2 — CID 142555313

IUPACN-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine
SMILESC=Cc1ccc([N+](=O)[O-])c(Cl)c1N=C
InChIInChI=1S/C9H7ClN2O2/c1-3-6-4-5-7(12(13)14)8(10)9(6)11-2/h3-5H,1-2H2
InChIKeyCVCJQXYQIVHUSH-UHFFFAOYSA-N
MW210.62 g/mol
LogP3.22
Rot. Bonds3

About N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine

N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine (PubChem CID 142555313) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine
PubChem CID142555313
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC NameN-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine
SMILESC=Cc1ccc([N+](=O)[O-])c(Cl)c1N=C
InChIInChI=1S/C9H7ClN2O2/c1-3-6-4-5-7(12(13)14)8(10)9(6)11-2/h3-5H,1-2H2
InChIKeyCVCJQXYQIVHUSH-UHFFFAOYSA-N
XLogP3.22
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine?
The IUPAC name of N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine (CID 142555313) is N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine.
What is the SMILES notation for N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine?
The canonical SMILES for N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine is C=Cc1ccc([N+](=O)[O-])c(Cl)c1N=C.
What is the InChIKey of N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine?
The InChIKey is CVCJQXYQIVHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-3-6-4-5-7(12(13)14)8(10)9(6)11-2/h3-5H,1-2H2.
What are the key properties of N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine?
N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine has a molecular weight of 210.62 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-ethenyl-3-nitrophenyl)methanimine is sourced from PubChem (CID 142555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).