3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

C9H8N2O2S — CID 160589274

IUPAC3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESN#Cc1csc2c1CCN(C(=O)O)C2
InChIInChI=1S/C9H8N2O2S/c10-3-6-5-14-8-4-11(9(12)13)2-1-7(6)8/h5H,1-2,4H2,(H,12,13)
InChIKeyRCUHONLNYKMYRJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.66
Rot. Bonds

About 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid

3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (PubChem CID 160589274) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
PubChem CID160589274
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESN#Cc1csc2c1CCN(C(=O)O)C2
InChIInChI=1S/C9H8N2O2S/c10-3-6-5-14-8-4-11(9(12)13)2-1-7(6)8/h5H,1-2,4H2,(H,12,13)
InChIKeyRCUHONLNYKMYRJ-UHFFFAOYSA-N
XLogP1.66
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
CID 21325969
2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 21886023
3-Cyano-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67803591
Tert-butyl-[(4-cyanothiophen-2-yl)methyl]carbamic acid
CID 69283780
5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 91284254
1,1-Dimethylethyl 4,7-dihydro-3-methylthieno[2,3-c]pyridine-6(5H)-carboxylate
CID 123180770
tert-butyl 3-cyano-2-iodo-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 138564806
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
6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131385
ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686716

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (CID 160589274) is 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is N#Cc1csc2c1CCN(C(=O)O)C2.
What is the InChIKey of 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is RCUHONLNYKMYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-3-6-5-14-8-4-11(9(12)13)2-1-7(6)8/h5H,1-2,4H2,(H,12,13).
What are the key properties of 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 160589274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).