1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one

C9H12NO3P — CID 20634527

IUPAC1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
SMILESCC(=O)C(O)P(C)(=O)c1ccccn1
InChIInChI=1S/C9H12NO3P/c1-7(11)9(12)14(2,13)8-5-3-4-6-10-8/h3-6,9,12H,1-2H3
InChIKeyDPMLILVODSRBIO-UHFFFAOYSA-N
MW213.17 g/mol
LogP0.61
Rot. Bonds3

About 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one

1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one (PubChem CID 20634527) has the molecular formula C9H12NO3P and a molecular weight of 213.17 g/mol. Its IUPAC name is 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
PubChem CID20634527
Molecular FormulaC9H12NO3P
Molecular Weight213.17 g/mol
Exact Mass213.06
IUPAC Name1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
SMILESCC(=O)C(O)P(C)(=O)c1ccccn1
InChIInChI=1S/C9H12NO3P/c1-7(11)9(12)14(2,13)8-5-3-4-6-10-8/h3-6,9,12H,1-2H3
InChIKeyDPMLILVODSRBIO-UHFFFAOYSA-N
XLogP0.61
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
The IUPAC name of 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one (CID 20634527) is 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one.
What is the SMILES notation for 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
The canonical SMILES for 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one is CC(=O)C(O)P(C)(=O)c1ccccn1.
What is the InChIKey of 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
The InChIKey is DPMLILVODSRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO3P/c1-7(11)9(12)14(2,13)8-5-3-4-6-10-8/h3-6,9,12H,1-2H3.
What are the key properties of 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one?
1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one has a molecular weight of 213.17 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one is sourced from PubChem (CID 20634527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).