1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol

C17H14N2O — CID 766770

IUPAC1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESCc1cccc(N=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C17H14N2O/c1-12-5-4-8-17(19-12)18-11-15-14-7-3-2-6-13(14)9-10-16(15)20/h2-11,20H,1H3
InChIKeyGOXMIRPGNYQUGX-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.00
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol

1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol (PubChem CID 766770) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
PubChem CID766770
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESCc1cccc(N=Cc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C17H14N2O/c1-12-5-4-8-17(19-12)18-11-15-14-7-3-2-6-13(14)9-10-16(15)20/h2-11,20H,1H3
InChIKeyGOXMIRPGNYQUGX-UHFFFAOYSA-N
XLogP4.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.00
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-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol (CID 766770) is 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol is Cc1cccc(N=Cc2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The InChIKey is GOXMIRPGNYQUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-5-4-8-17(19-12)18-11-15-14-7-3-2-6-13(14)9-10-16(15)20/h2-11,20H,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol has a molecular weight of 262.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 766770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).