5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid

C15H19N2O6P — CID 172694491

IUPAC5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid
SMILESCc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1.O=P(O)(O)O
InChIInChI=1S/C15H16N2O2.H3O4P/c1-10-3-5-13(6-4-10)17-8-14-12(9-18)7-16-11(2)15(14)19;1-5(2,3)4/h3-8,18-19H,9H2,1-2H3;(H3,1,2,3,4)/b17-8+;
InChIKeyCDFDTIUQBUSVSI-XIDBHWPPSA-N
MW354.30 g/mol
LogP1.72
Rot. Bonds3

About 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid

5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid (PubChem CID 172694491) has the molecular formula C15H19N2O6P and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid
PubChem CID172694491
Molecular FormulaC15H19N2O6P
Molecular Weight354.30 g/mol
Exact Mass354.10
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid
SMILESCc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1.O=P(O)(O)O
InChIInChI=1S/C15H16N2O2.H3O4P/c1-10-3-5-13(6-4-10)17-8-14-12(9-18)7-16-11(2)15(14)19;1-5(2,3)4/h3-8,18-19H,9H2,1-2H3;(H3,1,2,3,4)/b17-8+;
InChIKeyCDFDTIUQBUSVSI-XIDBHWPPSA-N
XLogP1.72
TPSA143.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 146020844
4-[[4-(4-bromophenoxy)phenyl]iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828678
4-[(2-bromo-4-methylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828603
5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 135828600
5-(hydroxymethyl)-2-methyl-4-[2-(4-methylphenoxy)ethyliminomethyl]pyridin-3-ol
CID 135828679
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 3273232
5-(hydroxymethyl)-2-methyl-4-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]pyridin-3-ol
CID 135828932
4-[(2,3-dimethylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 5149631
4-[(2-bromophenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135630898
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135855273
4-[(4-bromo-2-methylphenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828774
5-(hydroxymethyl)-2-methyl-4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)pyridin-3-ol
CID 135828772

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid (CID 172694491) is 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid is Cc1ccc(/N=C/c2c(CO)cnc(C)c2O)cc1.O=P(O)(O)O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid?
The InChIKey is CDFDTIUQBUSVSI-XIDBHWPPSA-N. The full InChI is InChI=1S/C15H16N2O2.H3O4P/c1-10-3-5-13(6-4-10)17-8-14-12(9-18)7-16-11(2)15(14)19;1-5(2,3)4/h3-8,18-19H,9H2,1-2H3;(H3,1,2,3,4)/b17-8+;.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid?
5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid has a molecular weight of 354.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid is sourced from PubChem (CID 172694491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).