4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide

C11H8BrF3N2O2S — CID 155458369

IUPAC4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(Br)c2cc(C(=O)NCC(F)(F)F)sc2c1=O
InChIInChI=1S/C11H8BrF3N2O2S/c1-17-3-6(12)5-2-7(20-8(5)10(17)19)9(18)16-4-11(13,14)15/h2-3H,4H2,1H3,(H,16,18)
InChIKeyKYCWTMOFFDEVLP-UHFFFAOYSA-N
MW369.16 g/mol
LogP2.65
Rot. Bonds2

About 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide

4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 155458369) has the molecular formula C11H8BrF3N2O2S and a molecular weight of 369.16 g/mol. Its IUPAC name is 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID155458369
Molecular FormulaC11H8BrF3N2O2S
Molecular Weight369.16 g/mol
Exact Mass367.94
IUPAC Name4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(Br)c2cc(C(=O)NCC(F)(F)F)sc2c1=O
InChIInChI=1S/C11H8BrF3N2O2S/c1-17-3-6(12)5-2-7(20-8(5)10(17)19)9(18)16-4-11(13,14)15/h2-3H,4H2,1H3,(H,16,18)
InChIKeyKYCWTMOFFDEVLP-UHFFFAOYSA-N
XLogP2.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 155458369) is 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide is Cn1cc(Br)c2cc(C(=O)NCC(F)(F)F)sc2c1=O.
What is the InChIKey of 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is KYCWTMOFFDEVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O2S/c1-17-3-6(12)5-2-7(20-8(5)10(17)19)9(18)16-4-11(13,14)15/h2-3H,4H2,1H3,(H,16,18).
What are the key properties of 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide?
4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 369.16 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155458369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).