N-(2-chloro-4-nitrophenyl)methanimine

C7H5ClN2O2 — CID 142216814

IUPACN-(2-chloro-4-nitrophenyl)methanimine
SMILESC=Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H5ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4H,1H2
InChIKeyJDCDVPPKTSLSHJ-UHFFFAOYSA-N
MW184.58 g/mol
LogP2.58
Rot. Bonds2

About N-(2-chloro-4-nitrophenyl)methanimine

N-(2-chloro-4-nitrophenyl)methanimine (PubChem CID 142216814) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)methanimine
PubChem CID142216814
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC NameN-(2-chloro-4-nitrophenyl)methanimine
SMILESC=Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C7H5ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4H,1H2
InChIKeyJDCDVPPKTSLSHJ-UHFFFAOYSA-N
XLogP2.58
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 52.58
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-4-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

Related Compounds

2-(methylideneamino)-4-nitrophenol
CID 153394573
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
potassium 2-chloro-4-nitrophenol
CID 71150199
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529
N,2-dichloro-4-nitroaniline
CID 57242965
1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine
CID 86632875
(2-chloro-4-nitrophenyl) nitrite
CID 174647913
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
CID 14062040
2-chloro-N-(methylideneamino)-4-nitro-N-phenylaniline
CID 68571220
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)methanimine
CID 690794
(2-chloro-5-nitrophenyl)diazene
CID 23175708

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)methanimine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)methanimine (CID 142216814) is N-(2-chloro-4-nitrophenyl)methanimine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)methanimine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)methanimine is C=Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)methanimine?
The InChIKey is JDCDVPPKTSLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4H,1H2.
What are the key properties of N-(2-chloro-4-nitrophenyl)methanimine?
N-(2-chloro-4-nitrophenyl)methanimine has a molecular weight of 184.58 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)methanimine is sourced from PubChem (CID 142216814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).