N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine

C12H9ClN2 — CID 612167

IUPACN-(4-chlorophenyl)-1-pyridin-3-ylmethanimine
SMILESClc1ccc(/N=C/c2cccnc2)cc1
InChIInChI=1S/C12H9ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-9H/b15-9+
InChIKeyJUFHEWBGUFHGPZ-OQLLNIDSSA-N
MW216.67 g/mol
LogP3.49
Rot. Bonds2

About N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine

N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine (PubChem CID 612167) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-pyridin-3-ylmethanimine
PubChem CID612167
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC NameN-(4-chlorophenyl)-1-pyridin-3-ylmethanimine
SMILESClc1ccc(/N=C/c2cccnc2)cc1
InChIInChI=1S/C12H9ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-9H/b15-9+
InChIKeyJUFHEWBGUFHGPZ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine (CID 612167) is N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine is Clc1ccc(/N=C/c2cccnc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine?
The InChIKey is JUFHEWBGUFHGPZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H9ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-9H/b15-9+.
What are the key properties of N-(4-chlorophenyl)-1-pyridin-3-ylmethanimine?
N-(4-chlorophenyl)-1-pyridin-3-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-3-ylmethanimine is sourced from PubChem (CID 612167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).