2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile

C11H9F3N2S — CID 167949413

IUPAC2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC2CC(C(F)(F)F)C2)c1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-4-9(5-8)17-10-3-7(6-15)1-2-16-10/h1-3,8-9H,4-5H2
InChIKeyVNDWQTCLMIOKQE-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.39
Rot. Bonds2

About 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile

2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile (PubChem CID 167949413) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile
PubChem CID167949413
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC2CC(C(F)(F)F)C2)c1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-4-9(5-8)17-10-3-7(6-15)1-2-16-10/h1-3,8-9H,4-5H2
InChIKeyVNDWQTCLMIOKQE-UHFFFAOYSA-N
XLogP3.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
2-(trifluoromethylsulfanyl)pyridine-4-carbonitrile
CID 75530554
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168
2-(3-phenylmethoxycyclobutyl)sulfanylpyridine-4-carbonitrile
CID 146092439
tert-butyl 4-[(4-cyano-2-pyridinyl)sulfanyl]piperidine-1-carboxylate
CID 71303112
2-[3,5-bis(4-cyano-2-pyridinyl)cyclohexyl]pyridine-4-carbonitrile
CID 25124014
2-[(4-cyano-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81228307
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-[(2-aminocyclopropyl)amino]pyridine-4-carbonitrile
CID 43598882
2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carbonitrile
CID 106428707
(4-cyano-2-pyridinyl) carbamimidothioate
CID 130899404
3,5-difluoro-4-[[3-(trifluoromethyl)cyclobutyl]amino]benzonitrile
CID 174336438

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile (CID 167949413) is 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(SC2CC(C(F)(F)F)C2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile?
The InChIKey is VNDWQTCLMIOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)8-4-9(5-8)17-10-3-7(6-15)1-2-16-10/h1-3,8-9H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile?
2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 167949413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).