2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile

C8H6N2S — CID 84651424

IUPAC2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1cncc2c1SCC2
InChIInChI=1S/C8H6N2S/c9-3-7-5-10-4-6-1-2-11-8(6)7/h4-5H,1-2H2
InChIKeyVOYRNEOGSWPCPQ-UHFFFAOYSA-N
MW162.22 g/mol
LogP1.60
Rot. Bonds

About 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile

2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile (PubChem CID 84651424) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile
PubChem CID84651424
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile
SMILESN#Cc1cncc2c1SCC2
InChIInChI=1S/C8H6N2S/c9-3-7-5-10-4-6-1-2-11-8(6)7/h4-5H,1-2H2
InChIKeyVOYRNEOGSWPCPQ-UHFFFAOYSA-N
XLogP1.60
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 82375950
7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile
CID 89290782
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
8-thia-4,11-diazatricyclo[7.2.1.02,7]dodeca-1(11),2(7),3,5,9-pentaene-6-carbonitrile
CID 171761461
8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
CID 141462578
thieno[2,3-c]pyridine-4-carbonitrile
CID 130119654
5-thia-11-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene-9-carbonitrile
CID 82398295
5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130095790
5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091836
4-bromopyridine-3-carbonitrile
CID 22329522
1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 96596668

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile (CID 84651424) is 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile is N#Cc1cncc2c1SCC2.
What is the InChIKey of 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile?
The InChIKey is VOYRNEOGSWPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c9-3-7-5-10-4-6-1-2-11-8(6)7/h4-5H,1-2H2.
What are the key properties of 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile?
2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile has a molecular weight of 162.22 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 84651424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).