N-phenoxy-1-pyridin-2-ylmethanimine

C12H10N2O — CID 54492053

IUPACN-phenoxy-1-pyridin-2-ylmethanimine
SMILESC(=NOc1ccccc1)c1ccccn1
InChIInChI=1S/C12H10N2O/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13-11/h1-10H
InChIKeyXWKNMIQOLAIUTR-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.49
Rot. Bonds3

About N-phenoxy-1-pyridin-2-ylmethanimine

N-phenoxy-1-pyridin-2-ylmethanimine (PubChem CID 54492053) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N-phenoxy-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-phenoxy-1-pyridin-2-ylmethanimine
PubChem CID54492053
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN-phenoxy-1-pyridin-2-ylmethanimine
SMILESC(=NOc1ccccc1)c1ccccn1
InChIInChI=1S/C12H10N2O/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13-11/h1-10H
InChIKeyXWKNMIQOLAIUTR-UHFFFAOYSA-N
XLogP2.49
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenoxy-1-pyridin-2-ylmethanimine?
The IUPAC name of N-phenoxy-1-pyridin-2-ylmethanimine (CID 54492053) is N-phenoxy-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-phenoxy-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-phenoxy-1-pyridin-2-ylmethanimine is C(=NOc1ccccc1)c1ccccn1.
What is the InChIKey of N-phenoxy-1-pyridin-2-ylmethanimine?
The InChIKey is XWKNMIQOLAIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13-11/h1-10H.
What are the key properties of N-phenoxy-1-pyridin-2-ylmethanimine?
N-phenoxy-1-pyridin-2-ylmethanimine has a molecular weight of 198.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxy-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 54492053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).