6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C10H10N2O2S — CID 141131385

IUPAC6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C10H10N2O2S/c11-3-7-6-15-9-4-12(10(14)5-13)2-1-8(7)9/h6,13H,1-2,4-5H2
InChIKeyJCFPCTLKLGWEFI-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.50
Rot. Bonds1

About 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 141131385) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID141131385
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C10H10N2O2S/c11-3-7-6-15-9-4-12(10(14)5-13)2-1-8(7)9/h6,13H,1-2,4-5H2
InChIKeyJCFPCTLKLGWEFI-UHFFFAOYSA-N
XLogP0.50
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 68457824
6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131357
ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 141131373
6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131379
S-ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
CID 142686741
2-methoxyethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686750
3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 160589274
3-cyano-6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
CID 173084260
1-(6,7-Dihydrothieno[3,2-C]pyridin-5(4H)-YL)-2-hydroxyethan-1-one
CID 43558848
5-[[4-(2-Hydroxypropanoyl)piperazin-1-yl]methyl]thiophene-3-carbonitrile
CID 109935494
(R)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-hydroxypropan-1-one
CID 178399724

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 141131385) is 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1csc2c1CCN(C(=O)CO)C2.
What is the InChIKey of 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is JCFPCTLKLGWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-3-7-6-15-9-4-12(10(14)5-13)2-1-8(7)9/h6,13H,1-2,4-5H2.
What are the key properties of 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 222.27 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 141131385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).