2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C10H10N2S — CID 681229

IUPAC2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C10H10N2S/c1-13-10-8(6-11)5-7-3-2-4-9(7)12-10/h5H,2-4H2,1H3
InChIKeyDCFRJBBKRAWXFX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.16
Rot. Bonds1

About 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 681229) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID681229
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C10H10N2S/c1-13-10-8(6-11)5-7-3-2-4-9(7)12-10/h5H,2-4H2,1H3
InChIKeyDCFRJBBKRAWXFX-UHFFFAOYSA-N
XLogP2.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
2-[(cyanomethyl)sulfanyl]-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CID 652153
2-(2-methylprop-2-enylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 681230
2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 681250
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
2-(Methylsulfonyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2942418
2-[(Cyanomethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 646581
2-[(Cyanomethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 658114
1-Methyl-3-methylsulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 661866
2-(methylsulfanyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 845556

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 681229) is 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CSc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is DCFRJBBKRAWXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-13-10-8(6-11)5-7-3-2-4-9(7)12-10/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 190.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 681229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).