1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol

C17H14N2O — CID 708864

IUPAC1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Cc1cccnc1
InChIInChI=1S/C17H14N2O/c20-17-8-7-14-5-1-2-6-15(14)16(17)12-19-11-13-4-3-9-18-10-13/h1-10,12,20H,11H2/b19-12+
InChIKeyKEJZYIVPICKCDD-XDHOZWIPSA-N
MW262.31 g/mol
LogP3.56
Rot. Bonds3

About 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol

1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol (PubChem CID 708864) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol
PubChem CID708864
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/Cc1cccnc1
InChIInChI=1S/C17H14N2O/c20-17-8-7-14-5-1-2-6-15(14)16(17)12-19-11-13-4-3-9-18-10-13/h1-10,12,20H,11H2/b19-12+
InChIKeyKEJZYIVPICKCDD-XDHOZWIPSA-N
XLogP3.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.56
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-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol (CID 708864) is 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol?
The InChIKey is KEJZYIVPICKCDD-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-8-7-14-5-1-2-6-15(14)16(17)12-19-11-13-4-3-9-18-10-13/h1-10,12,20H,11H2/b19-12+.
What are the key properties of 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol?
1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol has a molecular weight of 262.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 708864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).