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

C18H8F6N2OS — CID 15477087

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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Related Compounds

2-Methoxy-4-(4-methylphenyl)-6-(2-thienyl)nicotinonitrile
CID 698201
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-(2-thienyl)nicotinonitrile
CID 1315772
2-Amino-4-(2-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817565
Ethyl 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]oxyacetate
CID 2728484
2-Phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2728489
6-Methyl-5-(2-methyl-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 2801264
2-(Ethylthio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile
CID 3303543
6-(4-Ethoxyphenyl)-2-(ethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4597849
2-Methoxy-4-thiophen-2-yl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile
CID 44423885
4-[3,3,4,4,5,5-Hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-1,5-dimethylpyrrole-2-carbonitrile
CID 102084911
2-(4-Methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine
CID 102491049
4-Fluorothiophenoxyquinoline
CID 129886513

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).