methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate

C12H10FNO3S — CID 141390966

IUPACmethyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(Cn2ccccc2=O)c1F
InChIInChI=1S/C12H10FNO3S/c1-17-12(16)11-10(13)8(7-18-11)6-14-5-3-2-4-9(14)15/h2-5,7H,6H2,1H3
InChIKeyPGXGXTYDRUAVKK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.88
Rot. Bonds3

About methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate

methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate (PubChem CID 141390966) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate
PubChem CID141390966
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Namemethyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(Cn2ccccc2=O)c1F
InChIInChI=1S/C12H10FNO3S/c1-17-12(16)11-10(13)8(7-18-11)6-14-5-3-2-4-9(14)15/h2-5,7H,6H2,1H3
InChIKeyPGXGXTYDRUAVKK-UHFFFAOYSA-N
XLogP1.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 118213206
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
CID 116618456
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212736
methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
CID 14910424
5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 63292697
2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 43470471
methyl 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carboxylate
CID 10730447
methyl 2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]benzoate
CID 82899565
methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 90625207

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate (CID 141390966) is methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate is COC(=O)c1scc(Cn2ccccc2=O)c1F.
What is the InChIKey of methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate?
The InChIKey is PGXGXTYDRUAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c1-17-12(16)11-10(13)8(7-18-11)6-14-5-3-2-4-9(14)15/h2-5,7H,6H2,1H3.
What are the key properties of methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate?
methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 141390966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).