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2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile

C18H8F6N2OS — CID 15477087

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H8F6N2OS/c19-17(20,21)12-3-1-11(2-4-12)14-5-10(8-25)6-16(26-14)27-13-7-15(28-9-13)18(22,23)24/h1-7,9H
InChIKeyJAMNPNPMSOCUKR-UHFFFAOYSA-N
MW414.33 g/mol
LogP6.51
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile

2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile (PubChem CID 15477087) has the molecular formula C18H8F6N2OS and a molecular weight of 414.33 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile
PubChem CID15477087
Molecular FormulaC18H8F6N2OS
Molecular Weight414.33 g/mol
Exact Mass414.03
IUPAC Name2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H8F6N2OS/c19-17(20,21)12-3-1-11(2-4-12)14-5-10(8-25)6-16(26-14)27-13-7-15(28-9-13)18(22,23)24/h1-7,9H
InChIKeyJAMNPNPMSOCUKR-UHFFFAOYSA-N
XLogP6.51
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile (CID 15477087) is 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile is N#Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is JAMNPNPMSOCUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F6N2OS/c19-17(20,21)12-3-1-11(2-4-12)14-5-10(8-25)6-16(26-14)27-13-7-15(28-9-13)18(22,23)24/h1-7,9H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile?
2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 414.33 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 15477087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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