5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol

C14H15N3O2 — CID 135828521

IUPAC5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Cc2ccccn2)c1O
InChIInChI=1S/C14H15N3O2/c1-10-14(19)13(11(9-18)6-17-10)8-15-7-12-4-2-3-5-16-12/h2-6,8,18-19H,7,9H2,1H3/b15-8+
InChIKeyYCOPEZCSEUZXAI-OVCLIPMQSA-N
MW257.29 g/mol
LogP1.60
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol (PubChem CID 135828521) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
PubChem CID135828521
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Cc2ccccn2)c1O
InChIInChI=1S/C14H15N3O2/c1-10-14(19)13(11(9-18)6-17-10)8-15-7-12-4-2-3-5-16-12/h2-6,8,18-19H,7,9H2,1H3/b15-8+
InChIKeyYCOPEZCSEUZXAI-OVCLIPMQSA-N
XLogP1.60
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol (CID 135828521) is 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol is Cc1ncc(CO)c(/C=N/Cc2ccccn2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol?
The InChIKey is YCOPEZCSEUZXAI-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-14(19)13(11(9-18)6-17-10)8-15-7-12-4-2-3-5-16-12/h2-6,8,18-19H,7,9H2,1H3/b15-8+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol has a molecular weight of 257.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol is sourced from PubChem (CID 135828521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).