propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate

C15H20NO6PS — CID 54223216

IUPACpropan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
SMILESCCOP(=O)(OCC)Oc1c(C(=O)OC(C)C)sc2ncccc12
InChIInChI=1S/C15H20NO6PS/c1-5-19-23(18,20-6-2)22-12-11-8-7-9-16-14(11)24-13(12)15(17)21-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyQEBNUBQHYQVRRO-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.42
Rot. Bonds8

About propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate

propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate (PubChem CID 54223216) has the molecular formula C15H20NO6PS and a molecular weight of 373.37 g/mol. Its IUPAC name is propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
PubChem CID54223216
Molecular FormulaC15H20NO6PS
Molecular Weight373.37 g/mol
Exact Mass373.07
IUPAC Namepropan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
SMILESCCOP(=O)(OCC)Oc1c(C(=O)OC(C)C)sc2ncccc12
InChIInChI=1S/C15H20NO6PS/c1-5-19-23(18,20-6-2)22-12-11-8-7-9-16-14(11)24-13(12)15(17)21-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyQEBNUBQHYQVRRO-UHFFFAOYSA-N
XLogP4.42
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 69220215
dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
CID 159666446
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 112666890
ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10017665
3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 54710086
propan-2-yl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate
CID 175984372
3-butylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67872843
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 10224963

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate (CID 54223216) is propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate is CCOP(=O)(OCC)Oc1c(C(=O)OC(C)C)sc2ncccc12.
What is the InChIKey of propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is QEBNUBQHYQVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO6PS/c1-5-19-23(18,20-6-2)22-12-11-8-7-9-16-14(11)24-13(12)15(17)21-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate?
propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 54223216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).