4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C17H8F4N2OS — CID 19657053

IUPAC4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(C(F)(F)F)ccc2F)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C17H8F4N2OS/c18-13-4-3-9(17(19,20)21)6-11(13)10-7-14(15-2-1-5-25-15)23-16(24)12(10)8-22/h1-7H,(H,23,24)
InChIKeySGYMZXADTBLJHA-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.80
Rot. Bonds2

About 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 19657053) has the molecular formula C17H8F4N2OS and a molecular weight of 364.32 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID19657053
Molecular FormulaC17H8F4N2OS
Molecular Weight364.32 g/mol
Exact Mass364.03
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(C(F)(F)F)ccc2F)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C17H8F4N2OS/c18-13-4-3-9(17(19,20)21)6-11(13)10-7-14(15-2-1-5-25-15)23-16(24)12(10)8-22/h1-7H,(H,23,24)
InChIKeySGYMZXADTBLJHA-UHFFFAOYSA-N
XLogP4.80
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 19657053) is 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cc(C(F)(F)F)ccc2F)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is SGYMZXADTBLJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F4N2OS/c18-13-4-3-9(17(19,20)21)6-11(13)10-7-14(15-2-1-5-25-15)23-16(24)12(10)8-22/h1-7H,(H,23,24).
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 364.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19657053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).