3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile

C9H8N2S — CID 82375950

IUPAC3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#Cc1cncc2c1CCSC2
InChIInChI=1S/C9H8N2S/c10-3-7-4-11-5-8-6-12-2-1-9(7)8/h4-5H,1-2,6H2
InChIKeyRCBHCAQEWAUKAB-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.74
Rot. Bonds

About 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile

3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 82375950) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID82375950
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#Cc1cncc2c1CCSC2
InChIInChI=1S/C9H8N2S/c10-3-7-4-11-5-8-6-12-2-1-9(7)8/h4-5H,1-2,6H2
InChIKeyRCBHCAQEWAUKAB-UHFFFAOYSA-N
XLogP1.74
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile
CID 84651424
2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile
CID 84767216
5-propan-2-yl-3,4-dihydro-1H-isothiochromene-6-carbonitrile
CID 96610343
2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile
CID 82612621
1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)cyclopropan-1-amine
CID 84772484
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
5-thia-11-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene-9-carbonitrile
CID 82398295
8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile
CID 11141783
5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
CID 105441953
1-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)ethanamine
CID 83828278
5,6-dimethyl-3,4-dihydro-1H-isothiochromene
CID 176877421
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile (CID 82375950) is 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is N#Cc1cncc2c1CCSC2.
What is the InChIKey of 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is RCBHCAQEWAUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-3-7-4-11-5-8-6-12-2-1-9(7)8/h4-5H,1-2,6H2.
What are the key properties of 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile?
3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 176.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 82375950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).