4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C13H7ClF6N2O2S — CID 146309466

IUPAC4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(Cl)c(C(F)(F)F)s1
InChIInChI=1S/C13H7ClF6N2O2S/c14-6-2-8(25-10(6)13(18,19)20)11(23)21-5-1-7(15)12(24)22(3-5)4-9(16)17/h1-3,9H,4H2,(H,21,23)
InChIKeyUUZCCIWYOSQUQX-UHFFFAOYSA-N
MW404.72 g/mol
LogP4.24
Rot. Bonds4

About 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146309466) has the molecular formula C13H7ClF6N2O2S and a molecular weight of 404.72 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146309466
Molecular FormulaC13H7ClF6N2O2S
Molecular Weight404.72 g/mol
Exact Mass403.98
IUPAC Name4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(Cl)c(C(F)(F)F)s1
InChIInChI=1S/C13H7ClF6N2O2S/c14-6-2-8(25-10(6)13(18,19)20)11(23)21-5-1-7(15)12(24)22(3-5)4-9(16)17/h1-3,9H,4H2,(H,21,23)
InChIKeyUUZCCIWYOSQUQX-UHFFFAOYSA-N
XLogP4.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,2-dihydropyridin-3-yl)-4,5-difluorothiophene-2-carboxamide
CID 71146342
3-chloro-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 89833729
4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
CID 146309489
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
4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323161
4,5-dichloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323174
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
4-chloro-N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323177
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323179
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-[2-(1-methylpiperidin-3-yl)ethynyl]thiophene-2-carboxamide
CID 146323180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 146309466) is 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(Cl)c(C(F)(F)F)s1.
What is the InChIKey of 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is UUZCCIWYOSQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF6N2O2S/c14-6-2-8(25-10(6)13(18,19)20)11(23)21-5-1-7(15)12(24)22(3-5)4-9(16)17/h1-3,9H,4H2,(H,21,23).
What are the key properties of 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 404.72 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146309466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).