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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Related Compounds

4-[[4-[(dimethylamino)methyl]phenyl]methyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135829045
5-(hydroxymethyl)-2-methyl-4-(2-methylpropyliminomethyl)pyridin-3-ol
CID 137100245
5-(hydroxymethyl)-2-methyl-4-(2-phenylsulfanylethyliminomethyl)pyridin-3-ol
CID 135829014
4-[(2,4-dichlorophenyl)methyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828586
5-(hydroxymethyl)-2-methyl-4-[2-(4-methylphenoxy)ethyliminomethyl]pyridin-3-ol
CID 135828679
[(2S)-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 135828857
4-[(4-aminophenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 146020844
5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]pyridin-3-ol
CID 135829007
5-(hydroxymethyl)-2-methyl-4-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]pyridin-3-ol
CID 135828888
(2R,3R,4R,5S)-6-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]hexane-1,2,3,4,5-pentol
CID 136703461
4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 5149631
5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]pyridin-3-ol
CID 135828935

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).