ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate

C11H16NO4P — CID 142495765

IUPACethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate
SMILESCCOPc1cc(C(=O)OCC)cc(CO)n1
InChIInChI=1S/C11H16NO4P/c1-3-15-11(14)8-5-9(7-13)12-10(6-8)17-16-4-2/h5-6,13,17H,3-4,7H2,1-2H3
InChIKeyLIXNXIPSSYZITJ-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.01
Rot. Bonds6

About ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate

ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate (PubChem CID 142495765) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate
PubChem CID142495765
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate
SMILESCCOPc1cc(C(=O)OCC)cc(CO)n1
InChIInChI=1S/C11H16NO4P/c1-3-15-11(14)8-5-9(7-13)12-10(6-8)17-16-4-2/h5-6,13,17H,3-4,7H2,1-2H3
InChIKeyLIXNXIPSSYZITJ-UHFFFAOYSA-N
XLogP1.01
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(hydroxymethyl)-6-methylpyridine-4-carboxylate;hydrate
CID 141487204
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 3-cyano-5-(hydroxymethyl)-4-sulfanylbenzoate
CID 134642218
ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate
CID 155292927
ethyl 3-iodo-5-methylbenzoate
CID 79018034
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-[6-(hydroxymethyl)furo[3,2-c]pyridin-4-yl]benzoate
CID 162519642
ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate
CID 170992705
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 3,4,5-trichlorobenzoate
CID 14692896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate (CID 142495765) is ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate is CCOPc1cc(C(=O)OCC)cc(CO)n1.
What is the InChIKey of ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate?
The InChIKey is LIXNXIPSSYZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO4P/c1-3-15-11(14)8-5-9(7-13)12-10(6-8)17-16-4-2/h5-6,13,17H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate?
ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate has a molecular weight of 257.23 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate is sourced from PubChem (CID 142495765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).