2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C17H10F3N3S2 — CID 1086290

IUPAC2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1cccnc1
InChIInChI=1S/C17H10F3N3S2/c18-17(19,20)13-7-14(15-4-2-6-24-15)23-16(12(13)8-21)25-10-11-3-1-5-22-9-11/h1-7,9H,10H2
InChIKeyYZRWPNLHZZTVNC-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.39
Rot. Bonds4

About 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1086290) has the molecular formula C17H10F3N3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1086290
Molecular FormulaC17H10F3N3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC Name2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1cccnc1
InChIInChI=1S/C17H10F3N3S2/c18-17(19,20)13-7-14(15-4-2-6-24-15)23-16(12(13)8-21)25-10-11-3-1-5-22-9-11/h1-7,9H,10H2
InChIKeyYZRWPNLHZZTVNC-UHFFFAOYSA-N
XLogP5.39
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1086290) is 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YZRWPNLHZZTVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3S2/c18-17(19,20)13-7-14(15-4-2-6-24-15)23-16(12(13)8-21)25-10-11-3-1-5-22-9-11/h1-7,9H,10H2.
What are the key properties of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 377.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1086290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).