1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile

C11H11FN2S — CID 152893427

IUPAC1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCSc1cc(C2(C#N)CC2)cnc1F
InChIInChI=1S/C11H11FN2S/c1-2-15-9-5-8(6-14-10(9)12)11(7-13)3-4-11/h5-6H,2-4H2,1H3
InChIKeyUDWSTSHBVWVXFX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.89
Rot. Bonds3

About 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile

1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 152893427) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID152893427
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESCCSc1cc(C2(C#N)CC2)cnc1F
InChIInChI=1S/C11H11FN2S/c1-2-15-9-5-8(6-14-10(9)12)11(7-13)3-4-11/h5-6H,2-4H2,1H3
InChIKeyUDWSTSHBVWVXFX-UHFFFAOYSA-N
XLogP2.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-5-ethylsulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 146231680
1-[6-[6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 146272307
1-[6-[5-(1,1-difluoroethyl)-1-methylbenzimidazol-2-yl]-5-ethylsulfanyl-3-pyridinyl]cyclopropane-1-carbonitrile
CID 146272296
1-[5-ethylsulfanyl-6-[2-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]acetyl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 147211244
1-[2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-b]pyridin-6-yl]cyclopropane-1-carbonitrile
CID 137396972
1-[5-ethylsulfanyl-6-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 142548124
1-[5-ethylsulfanyl-6-[8-oxo-7-(2,2,3,3,3-pentafluoropropyl)-2,7-naphthyridin-3-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 157038121
1-[3-ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146269029
1-(6-methyl-5-sulfanyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 172625573
1-[5-ethylsulfanyl-6-[2-[1-methoxy-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]acetyl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 159232118
1-(6-amino-5-ethylsulfonyl-3-pyridinyl)cyclopropane-1-carbonitrile
CID 162100523
1-[4-[6-(1,1-difluoroethylsulfanyl)-3-methylimidazo[4,5-c]pyridin-2-yl]-3-ethylsulfanylphenyl]cyclopropane-1-carbonitrile
CID 153372135

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile (CID 152893427) is 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile is CCSc1cc(C2(C#N)CC2)cnc1F.
What is the InChIKey of 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is UDWSTSHBVWVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-2-15-9-5-8(6-14-10(9)12)11(7-13)3-4-11/h5-6H,2-4H2,1H3.
What are the key properties of 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile?
1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfanyl-6-fluoro-3-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 152893427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).