5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide

C12H8ClF3N2OS — CID 1487186

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C12H8ClF3N2OS/c13-8-3-6(12(14,15)16)5-18-9(8)4-7-1-2-10(20-7)11(17)19/h1-3,5H,4H2,(H2,17,19)
InChIKeyNXXACMFQSYNCCP-UHFFFAOYSA-N
MW320.72 g/mol
LogP3.51
Rot. Bonds3

About 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 1487186) has the molecular formula C12H8ClF3N2OS and a molecular weight of 320.72 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID1487186
Molecular FormulaC12H8ClF3N2OS
Molecular Weight320.72 g/mol
Exact Mass320.00
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C12H8ClF3N2OS/c13-8-3-6(12(14,15)16)5-18-9(8)4-7-1-2-10(20-7)11(17)19/h1-3,5H,4H2,(H2,17,19)
InChIKeyNXXACMFQSYNCCP-UHFFFAOYSA-N
XLogP3.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide (CID 1487186) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide is NC(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is NXXACMFQSYNCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2OS/c13-8-3-6(12(14,15)16)5-18-9(8)4-7-1-2-10(20-7)11(17)19/h1-3,5H,4H2,(H2,17,19).
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 320.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1487186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).