2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol

C13H12N2O — CID 135421635

IUPAC2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1cccc(/N=C/c2ccccc2O)n1
InChIInChI=1S/C13H12N2O/c1-10-5-4-8-13(15-10)14-9-11-6-2-3-7-12(11)16/h2-9,16H,1H3/b14-9+
InChIKeyVERGMQGYQKKMCK-NTEUORMPSA-N
MW212.25 g/mol
LogP2.85
Rot. Bonds2

About 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol

2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol (PubChem CID 135421635) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol
PubChem CID135421635
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1cccc(/N=C/c2ccccc2O)n1
InChIInChI=1S/C13H12N2O/c1-10-5-4-8-13(15-10)14-9-11-6-2-3-7-12(11)16/h2-9,16H,1H3/b14-9+
InChIKeyVERGMQGYQKKMCK-NTEUORMPSA-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 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol (CID 135421635) is 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol is Cc1cccc(/N=C/c2ccccc2O)n1.
What is the InChIKey of 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol?
The InChIKey is VERGMQGYQKKMCK-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-5-4-8-13(15-10)14-9-11-6-2-3-7-12(11)16/h2-9,16H,1H3/b14-9+.
What are the key properties of 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol?
2-[(E)-(6-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 2-[(E)-(6-methyl-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 135421635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).