N-phenyl-1-pyridin-2-ylmethanimine oxide

C12H10N2O — CID 10750466

IUPACN-phenyl-1-pyridin-2-ylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccn1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-14(12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-10H/b14-10-
InChIKeyYQLBBNGRLCBDIN-UVTDQMKNSA-N
MW198.22 g/mol
LogP2.34
Rot. Bonds2

About N-phenyl-1-pyridin-2-ylmethanimine oxide

N-phenyl-1-pyridin-2-ylmethanimine oxide (PubChem CID 10750466) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N-phenyl-1-pyridin-2-ylmethanimine oxide.

Molecular Properties

Compound NameN-phenyl-1-pyridin-2-ylmethanimine oxide
PubChem CID10750466
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN-phenyl-1-pyridin-2-ylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccn1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-14(12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-10H/b14-10-
InChIKeyYQLBBNGRLCBDIN-UVTDQMKNSA-N
XLogP2.34
TPSA38.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.34
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-phenyl-1-pyridin-2-ylmethanimine oxide?
The IUPAC name of N-phenyl-1-pyridin-2-ylmethanimine oxide (CID 10750466) is N-phenyl-1-pyridin-2-ylmethanimine oxide.
What is the SMILES notation for N-phenyl-1-pyridin-2-ylmethanimine oxide?
The canonical SMILES for N-phenyl-1-pyridin-2-ylmethanimine oxide is [O-]/[N+](=C\c1ccccn1)c1ccccc1.
What is the InChIKey of N-phenyl-1-pyridin-2-ylmethanimine oxide?
The InChIKey is YQLBBNGRLCBDIN-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H10N2O/c15-14(12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-10H/b14-10-.
What are the key properties of N-phenyl-1-pyridin-2-ylmethanimine oxide?
N-phenyl-1-pyridin-2-ylmethanimine oxide has a molecular weight of 198.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-pyridin-2-ylmethanimine oxide is sourced from PubChem (CID 10750466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).