4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C16H18N2O2 — CID 5149631

IUPAC4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cccc(/N=C/c2c(CO)cnc(C)c2O)c1C
InChIInChI=1S/C16H18N2O2/c1-10-5-4-6-15(11(10)2)18-8-14-13(9-19)7-17-12(3)16(14)20/h4-8,19-20H,9H2,1-3H3/b18-8+
InChIKeySPDAXOQCKQASRY-QGMBQPNBSA-N
MW270.33 g/mol
LogP2.96
Rot. Bonds3

About 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 5149631) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID5149631
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cccc(/N=C/c2c(CO)cnc(C)c2O)c1C
InChIInChI=1S/C16H18N2O2/c1-10-5-4-6-15(11(10)2)18-8-14-13(9-19)7-17-12(3)16(14)20/h4-8,19-20H,9H2,1-3H3/b18-8+
InChIKeySPDAXOQCKQASRY-QGMBQPNBSA-N
XLogP2.96
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.96
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 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 5149631) is 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1cccc(/N=C/c2c(CO)cnc(C)c2O)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is SPDAXOQCKQASRY-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-4-6-15(11(10)2)18-8-14-13(9-19)7-17-12(3)16(14)20/h4-8,19-20H,9H2,1-3H3/b18-8+.
What are the key properties of 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 270.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 5149631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).