N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine

C13H9IN2O2 — CID 554970

IUPACN-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C13H9IN2O2/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(17)18/h1-9H/b15-9+
InChIKeyUPTYSJVCCLVCPK-OQLLNIDSSA-N
MW352.13 g/mol
LogP3.95
Rot. Bonds3

About N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine

N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine (PubChem CID 554970) has the molecular formula C13H9IN2O2 and a molecular weight of 352.13 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
PubChem CID554970
Molecular FormulaC13H9IN2O2
Molecular Weight352.13 g/mol
Exact Mass351.97
IUPAC NameN-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)cc1
InChIInChI=1S/C13H9IN2O2/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(17)18/h1-9H/b15-9+
InChIKeyUPTYSJVCCLVCPK-OQLLNIDSSA-N
XLogP3.95
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol
CID 4080590
1-(4-chlorophenyl)-N-(4-iodophenyl)methanimine
CID 631038
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine (CID 554970) is N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine?
The InChIKey is UPTYSJVCCLVCPK-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H9IN2O2/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(17)18/h1-9H/b15-9+.
What are the key properties of N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine?
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine has a molecular weight of 352.13 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 554970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).