1-diethoxyphosphoryl-2-methyl-2H-pyridine

C10H18NO3P — CID 71365284

IUPAC1-diethoxyphosphoryl-2-methyl-2H-pyridine
SMILESCCOP(=O)(OCC)N1C=CC=CC1C
InChIInChI=1S/C10H18NO3P/c1-4-13-15(12,14-5-2)11-9-7-6-8-10(11)3/h6-10H,4-5H2,1-3H3
InChIKeyHPQOVUURHSJNLO-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.94
Rot. Bonds5

About 1-diethoxyphosphoryl-2-methyl-2H-pyridine

1-diethoxyphosphoryl-2-methyl-2H-pyridine (PubChem CID 71365284) has the molecular formula C10H18NO3P and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-methyl-2H-pyridine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-methyl-2H-pyridine
PubChem CID71365284
Molecular FormulaC10H18NO3P
Molecular Weight231.23 g/mol
Exact Mass231.10
IUPAC Name1-diethoxyphosphoryl-2-methyl-2H-pyridine
SMILESCCOP(=O)(OCC)N1C=CC=CC1C
InChIInChI=1S/C10H18NO3P/c1-4-13-15(12,14-5-2)11-9-7-6-8-10(11)3/h6-10H,4-5H2,1-3H3
InChIKeyHPQOVUURHSJNLO-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 140916076
CID 140916076
2-methyl-1-propyl-2H-pyridine;hydrobromide
CID 174983516
1-diethoxyphosphorylpyrrolidine
CID 10750826
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
1-hexyl-2-methyl-2H-pyridine
CID 141126590
diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281
(1R,4S)-3-diethoxyphosphoryl-2λ4-thia-3-azabicyclo[2.2.2]oct-5-ene 2-oxide
CID 10826518
1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine
CID 26990
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
cyclopenta-2,4-dien-1-yl-ethoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 101343707
3-[ethoxy(ethyl)phosphoryl]cyclobutene
CID 174902042
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-methyl-2H-pyridine?
The IUPAC name of 1-diethoxyphosphoryl-2-methyl-2H-pyridine (CID 71365284) is 1-diethoxyphosphoryl-2-methyl-2H-pyridine.
What is the SMILES notation for 1-diethoxyphosphoryl-2-methyl-2H-pyridine?
The canonical SMILES for 1-diethoxyphosphoryl-2-methyl-2H-pyridine is CCOP(=O)(OCC)N1C=CC=CC1C.
What is the InChIKey of 1-diethoxyphosphoryl-2-methyl-2H-pyridine?
The InChIKey is HPQOVUURHSJNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO3P/c1-4-13-15(12,14-5-2)11-9-7-6-8-10(11)3/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-methyl-2H-pyridine?
1-diethoxyphosphoryl-2-methyl-2H-pyridine has a molecular weight of 231.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-methyl-2H-pyridine is sourced from PubChem (CID 71365284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).