4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide

C12H8F4N2O2S — CID 167536454

IUPAC4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cc(F)c(F)s1
InChIInChI=1S/C12H8F4N2O2S/c13-1-2-18-5-6(3-8(15)12(18)20)17-11(19)9-4-7(14)10(16)21-9/h3-5H,1-2H2,(H,17,19)
InChIKeyAPVVLZRVDSYVAQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.55
Rot. Bonds4

About 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide

4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 167536454) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
PubChem CID167536454
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC Name4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cc(F)c(F)s1
InChIInChI=1S/C12H8F4N2O2S/c13-1-2-18-5-6(3-8(15)12(18)20)17-11(19)9-4-7(14)10(16)21-9/h3-5H,1-2H2,(H,17,19)
InChIKeyAPVVLZRVDSYVAQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
N-{2-[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]ethyl}thiophene-2-carboxamide
CID 50954361
N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491575
N-[(2S)-1-fluoropropan-2-yl]thiophene-2-carboxamide
CID 177853289
N-(6-chloro-1,2-dihydropyridin-3-yl)-4,5-difluorothiophene-2-carboxamide
CID 71146342
3-fluoro-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 117916736
N-cyclohexyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 140133874
N-(2,6-difluorocyclohexa-1,5-dien-1-yl)-5-fluorothiophene-2-carboxamide
CID 144338888
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323119
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
CID 146323120
3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323152

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide (CID 167536454) is 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)c1cc(F)c(F)s1.
What is the InChIKey of 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is APVVLZRVDSYVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-1-2-18-5-6(3-8(15)12(18)20)17-11(19)9-4-7(14)10(16)21-9/h3-5H,1-2H2,(H,17,19).
What are the key properties of 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 167536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).