4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide

C12H8ClF3N2OS — CID 70856465

IUPAC4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c1-6-7(13)5-8(20-6)11(19)18-10-4-2-3-9(17-10)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyVIFFWWCQVSGSDZ-UHFFFAOYSA-N
MW320.72 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide

4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 70856465) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID70856465
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C12H8ClF3N2OS/c1-6-7(13)5-8(20-6)11(19)18-10-4-2-3-9(17-10)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyVIFFWWCQVSGSDZ-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide (CID 70856465) is 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is VIFFWWCQVSGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c1-6-7(13)5-8(20-6)11(19)18-10-4-2-3-9(17-10)12(14,15)16/h2-5H,1H3,(H,17,18,19).
What are the key properties of 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide?
4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 320.72 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 70856465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).