[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate

C9H15N2O5P — CID 59068359

IUPAC[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCc1cnc(C)c(O)c1CN
InChIInChI=1S/C9H15N2O5P/c1-6-9(12)8(3-10)7(4-11-6)5-16-17(13,14)15-2/h4,12H,3,5,10H2,1-2H3,(H,13,14)
InChIKeyNUKMAFLLJNRYHX-UHFFFAOYSA-N
MW262.20 g/mol
LogP0.82
Rot. Bonds5

About [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate

[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate (PubChem CID 59068359) has the molecular formula C9H15N2O5P and a molecular weight of 262.20 g/mol. Its IUPAC name is [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate.

Molecular Properties

Compound Name[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate
PubChem CID59068359
Molecular FormulaC9H15N2O5P
Molecular Weight262.20 g/mol
Exact Mass262.07
IUPAC Name[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCc1cnc(C)c(O)c1CN
InChIInChI=1S/C9H15N2O5P/c1-6-9(12)8(3-10)7(4-11-6)5-16-17(13,14)15-2/h4,12H,3,5,10H2,1-2H3,(H,13,14)
InChIKeyNUKMAFLLJNRYHX-UHFFFAOYSA-N
XLogP0.82
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate?
The IUPAC name of [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate (CID 59068359) is [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate.
What is the SMILES notation for [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate?
The canonical SMILES for [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate is COP(=O)(O)OCc1cnc(C)c(O)c1CN.
What is the InChIKey of [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate?
The InChIKey is NUKMAFLLJNRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O5P/c1-6-9(12)8(3-10)7(4-11-6)5-16-17(13,14)15-2/h4,12H,3,5,10H2,1-2H3,(H,13,14).
What are the key properties of [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate?
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate has a molecular weight of 262.20 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate is sourced from PubChem (CID 59068359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).