1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine

C7H3Cl3N2O2 — CID 86632875

IUPAC1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(N=C(Cl)Cl)c1
InChIInChI=1S/C7H3Cl3N2O2/c8-5-2-1-4(12(13)14)3-6(5)11-7(9)10/h1-3H
InChIKeyGEJYUPJOIGIWHP-UHFFFAOYSA-N
MW253.47 g/mol
LogP3.71
Rot. Bonds2

About 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine

1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine (PubChem CID 86632875) has the molecular formula C7H3Cl3N2O2 and a molecular weight of 253.47 g/mol. Its IUPAC name is 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine.

Molecular Properties

Compound Name1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine
PubChem CID86632875
Molecular FormulaC7H3Cl3N2O2
Molecular Weight253.47 g/mol
Exact Mass251.93
IUPAC Name1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(Cl)c(N=C(Cl)Cl)c1
InChIInChI=1S/C7H3Cl3N2O2/c8-5-2-1-4(12(13)14)3-6(5)11-7(9)10/h1-3H
InChIKeyGEJYUPJOIGIWHP-UHFFFAOYSA-N
XLogP3.71
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 53.71
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

(2-chloro-5-nitrophenyl)diazene
CID 23175708
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
CID 161054765
CID 161054765
N-(2-chloro-4-nitrophenyl)methanimine
CID 142216814
1-(2-chloro-5-nitrophenyl)prop-2-en-1-one
CID 157321447
2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
potassium 2-chloro-4-nitrophenol
CID 71150199
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
4-chloro-3-[(2-chloro-5-nitrophenyl)methylideneamino]benzoic acid
CID 126101233
2-chloro-5-nitrobenzoyl isothiocyanate
CID 15740293

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine?
The IUPAC name of 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine (CID 86632875) is 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine.
What is the SMILES notation for 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine?
The canonical SMILES for 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(Cl)c(N=C(Cl)Cl)c1.
What is the InChIKey of 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine?
The InChIKey is GEJYUPJOIGIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3N2O2/c8-5-2-1-4(12(13)14)3-6(5)11-7(9)10/h1-3H.
What are the key properties of 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine?
1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine has a molecular weight of 253.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-(2-chloro-5-nitrophenyl)methanimine is sourced from PubChem (CID 86632875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).