5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide

C14H8ClF3N2O2S — CID 146323305

IUPAC5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
SMILESC#Cc1cc(NC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C14H8ClF3N2O2S/c1-2-7-3-8(5-20(14(7)22)6-11(17)18)19-13(21)10-4-9(16)12(15)23-10/h1,3-5,11H,6H2,(H,19,21)
InChIKeyYUONLORWSJQYSH-UHFFFAOYSA-N
MW360.74 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide

5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide (PubChem CID 146323305) has the molecular formula C14H8ClF3N2O2S and a molecular weight of 360.74 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
PubChem CID146323305
Molecular FormulaC14H8ClF3N2O2S
Molecular Weight360.74 g/mol
Exact Mass359.99
IUPAC Name5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
SMILESC#Cc1cc(NC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C14H8ClF3N2O2S/c1-2-7-3-8(5-20(14(7)22)6-11(17)18)19-13(21)10-4-9(16)12(15)23-10/h1,3-5,11H,6H2,(H,19,21)
InChIKeyYUONLORWSJQYSH-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
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
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-(2-morpholin-4-ylethynyl)thiophene-2-carboxamide
CID 146323122
4-[2-(4-carbamoylphenyl)ethynyl]-5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323141
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-(3-methyl-5-methyliminopent-1-ynyl)thiophene-2-carboxamide
CID 146323149
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide (CID 146323305) is 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide is C#Cc1cc(NC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O.
What is the InChIKey of 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
The InChIKey is YUONLORWSJQYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2S/c1-2-7-3-8(5-20(14(7)22)6-11(17)18)19-13(21)10-4-9(16)12(15)23-10/h1,3-5,11H,6H2,(H,19,21).
What are the key properties of 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide has a molecular weight of 360.74 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,2-difluoroethyl)-5-ethynyl-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide is sourced from PubChem (CID 146323305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).