[2-(pyridin-3-ylmethylideneamino)phenyl]methanol

C13H12N2O — CID 4677912

IUPAC[2-(pyridin-3-ylmethylideneamino)phenyl]methanol
SMILESOCc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C13H12N2O/c16-10-12-5-1-2-6-13(12)15-9-11-4-3-7-14-8-11/h1-9,16H,10H2/b15-9+
InChIKeySNAMZQOMXUTZLN-OQLLNIDSSA-N
MW212.25 g/mol
LogP2.32
Rot. Bonds3

About [2-(pyridin-3-ylmethylideneamino)phenyl]methanol

[2-(pyridin-3-ylmethylideneamino)phenyl]methanol (PubChem CID 4677912) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is [2-(pyridin-3-ylmethylideneamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(pyridin-3-ylmethylideneamino)phenyl]methanol
PubChem CID4677912
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name[2-(pyridin-3-ylmethylideneamino)phenyl]methanol
SMILESOCc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C13H12N2O/c16-10-12-5-1-2-6-13(12)15-9-11-4-3-7-14-8-11/h1-9,16H,10H2/b15-9+
InChIKeySNAMZQOMXUTZLN-OQLLNIDSSA-N
XLogP2.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
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 [2-(pyridin-3-ylmethylideneamino)phenyl]methanol?
The IUPAC name of [2-(pyridin-3-ylmethylideneamino)phenyl]methanol (CID 4677912) is [2-(pyridin-3-ylmethylideneamino)phenyl]methanol.
What is the SMILES notation for [2-(pyridin-3-ylmethylideneamino)phenyl]methanol?
The canonical SMILES for [2-(pyridin-3-ylmethylideneamino)phenyl]methanol is OCc1ccccc1/N=C/c1cccnc1.
What is the InChIKey of [2-(pyridin-3-ylmethylideneamino)phenyl]methanol?
The InChIKey is SNAMZQOMXUTZLN-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H12N2O/c16-10-12-5-1-2-6-13(12)15-9-11-4-3-7-14-8-11/h1-9,16H,10H2/b15-9+.
What are the key properties of [2-(pyridin-3-ylmethylideneamino)phenyl]methanol?
[2-(pyridin-3-ylmethylideneamino)phenyl]methanol has a molecular weight of 212.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-ylmethylideneamino)phenyl]methanol is sourced from PubChem (CID 4677912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).