1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol

C19H18N2O2 — CID 4091216

IUPAC1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol
SMILESCc1ccc(C(O)C/N=C/c2c(O)ccc3ccccc23)cn1
InChIInChI=1S/C19H18N2O2/c1-13-6-7-15(10-21-13)19(23)12-20-11-17-16-5-3-2-4-14(16)8-9-18(17)22/h2-11,19,22-23H,12H2,1H3/b20-11+
InChIKeyGMXLQTFUCHPWMS-RGVLZGJSSA-N
MW306.37 g/mol
LogP3.40
Rot. Bonds4

About 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol

1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol (PubChem CID 4091216) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol
PubChem CID4091216
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol
SMILESCc1ccc(C(O)C/N=C/c2c(O)ccc3ccccc23)cn1
InChIInChI=1S/C19H18N2O2/c1-13-6-7-15(10-21-13)19(23)12-20-11-17-16-5-3-2-4-14(16)8-9-18(17)22/h2-11,19,22-23H,12H2,1H3/b20-11+
InChIKeyGMXLQTFUCHPWMS-RGVLZGJSSA-N
XLogP3.40
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol (CID 4091216) is 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol is Cc1ccc(C(O)C/N=C/c2c(O)ccc3ccccc23)cn1.
What is the InChIKey of 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol?
The InChIKey is GMXLQTFUCHPWMS-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-7-15(10-21-13)19(23)12-20-11-17-16-5-3-2-4-14(16)8-9-18(17)22/h2-11,19,22-23H,12H2,1H3/b20-11+.
What are the key properties of 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol?
1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol has a molecular weight of 306.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 4091216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).