ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate

C10H16NO5P — CID 57245544

IUPACethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate
SMILESCCOC(=O)n1ccc(=P(O)(OC)OC)cc1
InChIInChI=1S/C10H16NO5P/c1-4-16-10(12)11-7-5-9(6-8-11)17(13,14-2)15-3/h5-8,13H,4H2,1-3H3
InChIKeyJUBGCNAOPASVCP-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.07
Rot. Bonds3

About ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate

ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate (PubChem CID 57245544) has the molecular formula C10H16NO5P and a molecular weight of 261.21 g/mol. Its IUPAC name is ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate
PubChem CID57245544
Molecular FormulaC10H16NO5P
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Nameethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate
SMILESCCOC(=O)n1ccc(=P(O)(OC)OC)cc1
InChIInChI=1S/C10H16NO5P/c1-4-16-10(12)11-7-5-9(6-8-11)17(13,14-2)15-3/h5-8,13H,4H2,1-3H3
InChIKeyJUBGCNAOPASVCP-UHFFFAOYSA-N
XLogP2.07
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-methylpyrrole-1-carboxylate
CID 89052095
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
diethyl imidazol-1-ium-1,3-dicarboxylate chloride
CID 10377353
ethyl 4-dimethoxyphosphorylbenzoate
CID 86052648
ethyl 4-fluoroindole-1-carboxylate
CID 137467243
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
benzene-1,4-diol;ethyl carbamate;methoxymethane
CID 174872836
diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)cyclohexa-2,5-dien-1-ylidene]propanedioate
CID 5254678
ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 7-methylpyrrolo[2,1-e]tetrazole-1-carboxylate
CID 10535799

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate?
The IUPAC name of ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate (CID 57245544) is ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate is CCOC(=O)n1ccc(=P(O)(OC)OC)cc1.
What is the InChIKey of ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate?
The InChIKey is JUBGCNAOPASVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO5P/c1-4-16-10(12)11-7-5-9(6-8-11)17(13,14-2)15-3/h5-8,13H,4H2,1-3H3.
What are the key properties of ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate?
ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate has a molecular weight of 261.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[hydroxy(dimethoxy)-λ5-phosphanylidene]pyridine-1-carboxylate is sourced from PubChem (CID 57245544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).