N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine

C13H8Cl2N2O2 — CID 927284

IUPACN-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H8Cl2N2O2/c14-11-5-2-6-12(15)13(11)16-8-9-3-1-4-10(7-9)17(18)19/h1-8H/b16-8+
InChIKeyDJMJFUIVXPTUHR-LZYBPNLTSA-N
MW295.13 g/mol
LogP4.65
Rot. Bonds3

About N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine

N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine (PubChem CID 927284) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
PubChem CID927284
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC NameN-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H8Cl2N2O2/c14-11-5-2-6-12(15)13(11)16-8-9-3-1-4-10(7-9)17(18)19/h1-8H/b16-8+
InChIKeyDJMJFUIVXPTUHR-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-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine
CID 19060054
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
CID 5105784
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
4-[(3-nitrophenyl)methylideneamino]benzonitrile
CID 67289282
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine (CID 927284) is N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine?
The InChIKey is DJMJFUIVXPTUHR-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-11-5-2-6-12(15)13(11)16-8-9-3-1-4-10(7-9)17(18)19/h1-8H/b16-8+.
What are the key properties of N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine?
N-(2,6-dichlorophenyl)-1-(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 N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 927284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).