2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile

C12H11F3N2S — CID 43293087

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-4-5-11(17-7-9)18-10-3-1-2-8(10)6-16/h4-5,7-8,10H,1-3H2
InChIKeyLXQYBWQTQDYIPK-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.88
Rot. Bonds2

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile (PubChem CID 43293087) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
PubChem CID43293087
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-4-5-11(17-7-9)18-10-3-1-2-8(10)6-16/h4-5,7-8,10H,1-3H2
InChIKeyLXQYBWQTQDYIPK-UHFFFAOYSA-N
XLogP3.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile (CID 43293087) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile is N#CC1CCCC1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile?
The InChIKey is LXQYBWQTQDYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c13-12(14,15)9-4-5-11(17-7-9)18-10-3-1-2-8(10)6-16/h4-5,7-8,10H,1-3H2.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile has a molecular weight of 272.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43293087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).