4-[(5-methyl-2-pyridinyl)iminomethyl]phenol

C13H12N2O — CID 4863503

IUPAC4-[(5-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2ccc(O)cc2)nc1
InChIInChI=1S/C13H12N2O/c1-10-2-7-13(14-8-10)15-9-11-3-5-12(16)6-4-11/h2-9,16H,1H3/b15-9+
InChIKeyYXXQPVJYQQFUSA-OQLLNIDSSA-N
MW212.25 g/mol
LogP2.85
Rot. Bonds2

About 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol

4-[(5-methyl-2-pyridinyl)iminomethyl]phenol (PubChem CID 4863503) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)iminomethyl]phenol
PubChem CID4863503
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-[(5-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2ccc(O)cc2)nc1
InChIInChI=1S/C13H12N2O/c1-10-2-7-13(14-8-10)15-9-11-3-5-12(16)6-4-11/h2-9,16H,1H3/b15-9+
InChIKeyYXXQPVJYQQFUSA-OQLLNIDSSA-N
XLogP2.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.85
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 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol (CID 4863503) is 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol is Cc1ccc(/N=C/c2ccc(O)cc2)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
The InChIKey is YXXQPVJYQQFUSA-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-2-7-13(14-8-10)15-9-11-3-5-12(16)6-4-11/h2-9,16H,1H3/b15-9+.
What are the key properties of 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
4-[(5-methyl-2-pyridinyl)iminomethyl]phenol has a molecular weight of 212.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 4863503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).