ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride

C12H14FNO3S — CID 142265544

IUPACethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride
SMILESCCOC(=O)c1cn(C)c2c(C)csc2c1=O.F
InChIInChI=1S/C12H13NO3S.FH/c1-4-16-12(15)8-5-13(3)9-7(2)6-17-11(9)10(8)14;/h5-6H,4H2,1-3H3;1H
InChIKeyZNNVLSFMTZZRGB-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.24
Rot. Bonds2

About ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride

ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride (PubChem CID 142265544) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride.

Molecular Properties

Compound Nameethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride
PubChem CID142265544
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Nameethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride
SMILESCCOC(=O)c1cn(C)c2c(C)csc2c1=O.F
InChIInChI=1S/C12H13NO3S.FH/c1-4-16-12(15)8-5-13(3)9-7(2)6-17-11(9)10(8)14;/h5-6H,4H2,1-3H3;1H
InChIKeyZNNVLSFMTZZRGB-UHFFFAOYSA-N
XLogP2.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-4-ethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 14913285
ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 19843279
ethyl 8-fluoro-6-iodo-1-methyl-4-oxoquinoline-3-carboxylate
CID 21192608
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
ethyl 7-bromo-1,5-dimethylindole-3-carboxylate
CID 137376322
diethyl 3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxylate
CID 142563798
ethyl 8-chloro-1-methyl-4,10-dioxochromeno[3,2-b]pyridine-3-carboxylate
CID 21389231
ethyl 7-iodo-4-oxo-10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5(14),6,8-tetraene-3-carboxylate
CID 68943399
ethyl 7-formyl-1-methyl-4-oxoquinoline-3-carboxylate
CID 22626917

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride?
The IUPAC name of ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride (CID 142265544) is ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride.
What is the SMILES notation for ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride?
The canonical SMILES for ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride is CCOC(=O)c1cn(C)c2c(C)csc2c1=O.F.
What is the InChIKey of ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride?
The InChIKey is ZNNVLSFMTZZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S.FH/c1-4-16-12(15)8-5-13(3)9-7(2)6-17-11(9)10(8)14;/h5-6H,4H2,1-3H3;1H.
What are the key properties of ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride?
ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride has a molecular weight of 271.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride is sourced from PubChem (CID 142265544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).