N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide

C13H12N2O — CID 702433

IUPACN-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide
SMILESCc1ccccc1/[N+]([O-])=C/c1ccncc1
InChIInChI=1S/C13H12N2O/c1-11-4-2-3-5-13(11)15(16)10-12-6-8-14-9-7-12/h2-10H,1H3/b15-10-
InChIKeyRRBUHHRAPUIWJT-GDNBJRDFSA-N
MW212.25 g/mol
LogP2.65
Rot. Bonds2

About N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide

N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide (PubChem CID 702433) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide
PubChem CID702433
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide
SMILESCc1ccccc1/[N+]([O-])=C/c1ccncc1
InChIInChI=1S/C13H12N2O/c1-11-4-2-3-5-13(11)15(16)10-12-6-8-14-9-7-12/h2-10H,1H3/b15-10-
InChIKeyRRBUHHRAPUIWJT-GDNBJRDFSA-N
XLogP2.65
TPSA38.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide?
The IUPAC name of N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide (CID 702433) is N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide.
What is the SMILES notation for N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide?
The canonical SMILES for N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide is Cc1ccccc1/[N+]([O-])=C/c1ccncc1.
What is the InChIKey of N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide?
The InChIKey is RRBUHHRAPUIWJT-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H12N2O/c1-11-4-2-3-5-13(11)15(16)10-12-6-8-14-9-7-12/h2-10H,1H3/b15-10-.
What are the key properties of N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide?
N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide has a molecular weight of 212.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide is sourced from PubChem (CID 702433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).