1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine

C13H9ClIN — CID 10854741

IUPAC1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccccc2I)cc1
InChIInChI=1S/C13H9ClIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-9H/b16-9+
InChIKeyXAYJTXOISSLDSZ-CXUHLZMHSA-N
MW341.58 g/mol
LogP4.70
Rot. Bonds2

About 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine

1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine (PubChem CID 10854741) has the molecular formula C13H9ClIN and a molecular weight of 341.58 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
PubChem CID10854741
Molecular FormulaC13H9ClIN
Molecular Weight341.58 g/mol
Exact Mass340.95
IUPAC Name1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
SMILESClc1ccc(/C=N/c2ccccc2I)cc1
InChIInChI=1S/C13H9ClIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-9H/b16-9+
InChIKeyXAYJTXOISSLDSZ-CXUHLZMHSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine (CID 10854741) is 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine is Clc1ccc(/C=N/c2ccccc2I)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine?
The InChIKey is XAYJTXOISSLDSZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9ClIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-9H/b16-9+.
What are the key properties of 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine?
1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine has a molecular weight of 341.58 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine is sourced from PubChem (CID 10854741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).