N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine

C12H9ClN2 — CID 554614

IUPACN-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
SMILESClc1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C12H9ClN2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-9H/b15-9+
InChIKeyBIBVSZULZHYLJH-OQLLNIDSSA-N
MW216.67 g/mol
LogP3.49
Rot. Bonds2

About N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine

N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine (PubChem CID 554614) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
PubChem CID554614
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC NameN-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
SMILESClc1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C12H9ClN2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-9H/b15-9+
InChIKeyBIBVSZULZHYLJH-OQLLNIDSSA-N
XLogP3.49
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-4-ylphenyl)-1-[4-[(4-pyridin-4-ylphenyl)iminomethyl]phenyl]methanimine
CID 146322916
1-(4-chlorophenyl)-N-(4-iodophenyl)methanimine
CID 631038
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126093434
4-(pyridin-4-yliminomethyl)benzaldehyde
CID 170984117
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)methanimine
CID 4054178
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
CID 126113362
N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
CID 23329324
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
CID 11187118
1-(4-chlorophenyl)-N-[4-[(4-chlorophenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
CID 10641219

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine (CID 554614) is N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine is Clc1ccc(/N=C/c2ccncc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is BIBVSZULZHYLJH-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H9ClN2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-9H/b15-9+.
What are the key properties of N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine?
N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 216.67 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 554614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).