ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate

C10H16NO4P — CID 142001748

IUPACethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(P(OC)OC)C=C1
InChIInChI=1S/C10H16NO4P/c1-4-15-10(12)11-7-5-9(6-8-11)16(13-2)14-3/h5-9H,4H2,1-3H3
InChIKeyYPUVHSIHZZOIGJ-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.46
Rot. Bonds4

About ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate

ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate (PubChem CID 142001748) has the molecular formula C10H16NO4P and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate
PubChem CID142001748
Molecular FormulaC10H16NO4P
Molecular Weight245.22 g/mol
Exact Mass245.08
IUPAC Nameethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(P(OC)OC)C=C1
InChIInChI=1S/C10H16NO4P/c1-4-15-10(12)11-7-5-9(6-8-11)16(13-2)14-3/h5-9H,4H2,1-3H3
InChIKeyYPUVHSIHZZOIGJ-UHFFFAOYSA-N
XLogP2.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate (CID 142001748) is ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate is CCOC(=O)N1C=CC(P(OC)OC)C=C1.
What is the InChIKey of ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate?
The InChIKey is YPUVHSIHZZOIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO4P/c1-4-15-10(12)11-7-5-9(6-8-11)16(13-2)14-3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate?
ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate has a molecular weight of 245.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-dimethoxyphosphanyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 142001748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).