1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine

C13H8Cl2N2O2 — CID 794832

IUPAC1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/N=C/c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H8Cl2N2O2/c14-12-6-1-3-9(13(12)15)8-16-10-4-2-5-11(7-10)17(18)19/h1-8H/b16-8+
InChIKeyCYMFEVVHVKZHMH-LZYBPNLTSA-N
MW295.13 g/mol
LogP4.65
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine

1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine (PubChem CID 794832) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
PubChem CID794832
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC Name1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/N=C/c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H8Cl2N2O2/c14-12-6-1-3-9(13(12)15)8-16-10-4-2-5-11(7-10)17(18)19/h1-8H/b16-8+
InChIKeyCYMFEVVHVKZHMH-LZYBPNLTSA-N
XLogP4.65
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 54.65
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'}

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Related Compounds

1-(2,3-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 4266923
zinc bis(2-[(3-nitrophenyl)iminomethyl]phenolate)
CID 139056549
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
3-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 794489
2-[(3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 7605518
(Z)-1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-nitrophenyl)ethoxy]methanimine
CID 9355492
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
CID 6132068
1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
N-(3-nitrophenyl)-1-pyrrolidin-1-ylmethanimine
CID 523921

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine (CID 794832) is 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/N=C/c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine?
The InChIKey is CYMFEVVHVKZHMH-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-12-6-1-3-9(13(12)15)8-16-10-4-2-5-11(7-10)17(18)19/h1-8H/b16-8+.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine?
1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine has a molecular weight of 295.13 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine is sourced from PubChem (CID 794832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).