N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine

C13H12N2O — CID 611302

IUPACN-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
SMILESCOc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C13H12N2O/c1-16-13-7-3-2-6-12(13)15-10-11-5-4-8-14-9-11/h2-10H,1H3/b15-10+
InChIKeyZCCHUQACOQUSSB-XNTDXEJSSA-N
MW212.25 g/mol
LogP2.84
Rot. Bonds3

About N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine

N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine (PubChem CID 611302) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
PubChem CID611302
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
SMILESCOc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C13H12N2O/c1-16-13-7-3-2-6-12(13)15-10-11-5-4-8-14-9-11/h2-10H,1H3/b15-10+
InChIKeyZCCHUQACOQUSSB-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-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine (CID 611302) is N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine is COc1ccccc1/N=C/c1cccnc1.
What is the InChIKey of N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine?
The InChIKey is ZCCHUQACOQUSSB-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12N2O/c1-16-13-7-3-2-6-12(13)15-10-11-5-4-8-14-9-11/h2-10H,1H3/b15-10+.
What are the key properties of N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine?
N-(2-methoxyphenyl)-1-pyridin-3-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-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 611302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).