2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile

C9H8N2S — CID 84767216

IUPAC2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile
SMILESN#CCc1cncc2c1CSC2
InChIInChI=1S/C9H8N2S/c10-2-1-7-3-11-4-8-5-12-6-9(7)8/h3-4H,1,5-6H2
InChIKeyGNMUHTRJZMWYLZ-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.89
Rot. Bonds1

About 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile

2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile (PubChem CID 84767216) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile
PubChem CID84767216
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile
SMILESN#CCc1cncc2c1CSC2
InChIInChI=1S/C9H8N2S/c10-2-1-7-3-11-4-8-5-12-6-9(7)8/h3-4H,1,5-6H2
InChIKeyGNMUHTRJZMWYLZ-UHFFFAOYSA-N
XLogP1.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
CID 118828135
2-[4,5-bis(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095159
2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile
CID 171567060
2-[5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130849546
2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118851957
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
4-chloro-5-(cyanomethyl)pyridine-3-carbonyl chloride
CID 87727762
2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile
CID 130047648
2-[5-ethenyl-4-[(Z)-prop-1-enyl]-3-pyridinyl]acetonitrile
CID 174282228
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
CID 170886247
2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile
CID 84651424
2-(5-bromo-2-methyl-4-pyridinyl)acetonitrile
CID 130848882

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile?
The IUPAC name of 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile (CID 84767216) is 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile.
What is the SMILES notation for 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile?
The canonical SMILES for 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile is N#CCc1cncc2c1CSC2.
What is the InChIKey of 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile?
The InChIKey is GNMUHTRJZMWYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-2-1-7-3-11-4-8-5-12-6-9(7)8/h3-4H,1,5-6H2.
What are the key properties of 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile?
2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile has a molecular weight of 176.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile is sourced from PubChem (CID 84767216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).