4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol

C14H17N2O3P — CID 168931369

IUPAC4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol
SMILESCc1ncc(COPOc2ccccc2)c(CN)c1O
InChIInChI=1S/C14H17N2O3P/c1-10-14(17)13(7-15)11(8-16-10)9-18-20-19-12-5-3-2-4-6-12/h2-6,8,17,20H,7,9,15H2,1H3
InChIKeyPLHDZGWHBVPXPI-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.66
Rot. Bonds6

About 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol

4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol (PubChem CID 168931369) has the molecular formula C14H17N2O3P and a molecular weight of 292.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol
PubChem CID168931369
Molecular FormulaC14H17N2O3P
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol
SMILESCc1ncc(COPOc2ccccc2)c(CN)c1O
InChIInChI=1S/C14H17N2O3P/c1-10-14(17)13(7-15)11(8-16-10)9-18-20-19-12-5-3-2-4-6-12/h2-6,8,17,20H,7,9,15H2,1H3
InChIKeyPLHDZGWHBVPXPI-UHFFFAOYSA-N
XLogP2.66
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol (CID 168931369) is 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol is Cc1ncc(COPOc2ccccc2)c(CN)c1O.
What is the InChIKey of 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol?
The InChIKey is PLHDZGWHBVPXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O3P/c1-10-14(17)13(7-15)11(8-16-10)9-18-20-19-12-5-3-2-4-6-12/h2-6,8,17,20H,7,9,15H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol?
4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol has a molecular weight of 292.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-5-(phenoxyphosphanyloxymethyl)pyridin-3-ol is sourced from PubChem (CID 168931369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).