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

C13H12N2O — CID 607582

IUPACN-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine
SMILESCOc1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C13H12N2O/c1-16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-10H,1H3/b15-10+
InChIKeyKXRDLSYLPKPOSU-XNTDXEJSSA-N
MW212.25 g/mol
LogP2.84
Rot. Bonds3

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

N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine (PubChem CID 607582) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine
PubChem CID607582
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine
SMILESCOc1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C13H12N2O/c1-16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-10H,1H3/b15-10+
InChIKeyKXRDLSYLPKPOSU-XNTDXEJSSA-N
XLogP2.84
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine (CID 607582) is N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine is COc1ccc(/N=C/c2ccncc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is KXRDLSYLPKPOSU-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12N2O/c1-16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-10H,1H3/b15-10+.
What are the key properties of N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine?
N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 212.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 607582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).