4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide

C13H10BrF3N2O2S — CID 155458312

IUPAC4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(Br)c2cc(C(=O)NC3(C(F)(F)F)CC3)sc2c1=O
InChIInChI=1S/C13H10BrF3N2O2S/c1-19-5-7(14)6-4-8(22-9(6)11(19)21)10(20)18-12(2-3-12)13(15,16)17/h4-5H,2-3H2,1H3,(H,18,20)
InChIKeyYMTBSKRDHFLKRB-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.19
Rot. Bonds2

About 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide

4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 155458312) has the molecular formula C13H10BrF3N2O2S and a molecular weight of 395.20 g/mol. Its IUPAC name is 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID155458312
Molecular FormulaC13H10BrF3N2O2S
Molecular Weight395.20 g/mol
Exact Mass393.96
IUPAC Name4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(Br)c2cc(C(=O)NC3(C(F)(F)F)CC3)sc2c1=O
InChIInChI=1S/C13H10BrF3N2O2S/c1-19-5-7(14)6-4-8(22-9(6)11(19)21)10(20)18-12(2-3-12)13(15,16)17/h4-5H,2-3H2,1H3,(H,18,20)
InChIKeyYMTBSKRDHFLKRB-UHFFFAOYSA-N
XLogP3.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.19
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-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide (CID 155458312) is 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide is Cn1cc(Br)c2cc(C(=O)NC3(C(F)(F)F)CC3)sc2c1=O.
What is the InChIKey of 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is YMTBSKRDHFLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2S/c1-19-5-7(14)6-4-8(22-9(6)11(19)21)10(20)18-12(2-3-12)13(15,16)17/h4-5H,2-3H2,1H3,(H,18,20).
What are the key properties of 4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide?
4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 395.20 g/mol, XLogP of 3.19, 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-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155458312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).