1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol

C17H14N2O — CID 135459002

IUPAC1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESCc1cccnc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14N2O/c1-12-5-4-10-18-17(12)19-11-15-14-7-3-2-6-13(14)8-9-16(15)20/h2-11,20H,1H3/b19-11+
InChIKeyKVJQPVPRIHFWLW-YBFXNURJSA-N
MW262.31 g/mol
LogP4.00
Rot. Bonds2

About 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol

1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol (PubChem CID 135459002) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
PubChem CID135459002
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESCc1cccnc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H14N2O/c1-12-5-4-10-18-17(12)19-11-15-14-7-3-2-6-13(14)8-9-16(15)20/h2-11,20H,1H3/b19-11+
InChIKeyKVJQPVPRIHFWLW-YBFXNURJSA-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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Related Compounds

1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
CID 135443142
1-[[methyl(pyridin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3312166
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol (CID 135459002) is 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol is Cc1cccnc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The InChIKey is KVJQPVPRIHFWLW-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-5-4-10-18-17(12)19-11-15-14-7-3-2-6-13(14)8-9-16(15)20/h2-11,20H,1H3/b19-11+.
What are the key properties of 1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol?
1-[(E)-(3-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-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135459002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).