1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol

C16H12N2O — CID 135656263

IUPAC1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccccn1
InChIInChI=1S/C16H12N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-11,19H/b18-11+
InChIKeyVXEIALPYLNOWSH-WOJGMQOQSA-N
MW248.29 g/mol
LogP3.69
Rot. Bonds2

About 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol

1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol (PubChem CID 135656263) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol
PubChem CID135656263
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccccn1
InChIInChI=1S/C16H12N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-11,19H/b18-11+
InChIKeyVXEIALPYLNOWSH-WOJGMQOQSA-N
XLogP3.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.69
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 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol (CID 135656263) is 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccccn1.
What is the InChIKey of 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol?
The InChIKey is VXEIALPYLNOWSH-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-11,19H/b18-11+.
What are the key properties of 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol?
1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol has a molecular weight of 248.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pyridin-2-yliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135656263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).