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

C11H12N2O2S — CID 142686716

IUPACethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2cc(C#N)sc2C1
InChIInChI=1S/C11H12N2O2S/c1-2-15-11(14)13-4-3-8-5-9(6-12)16-10(8)7-13/h5H,2-4,7H2,1H3
InChIKeyDEGXZLZMZXIHSX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.13
Rot. Bonds1

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

ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 142686716) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID142686716
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Nameethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2cc(C#N)sc2C1
InChIInChI=1S/C11H12N2O2S/c1-2-15-11(14)13-4-3-8-5-9(6-12)16-10(8)7-13/h5H,2-4,7H2,1H3
InChIKeyDEGXZLZMZXIHSX-UHFFFAOYSA-N
XLogP2.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
tert-butyl 2-ethynyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 146155871
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
tert-butyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 72149212
1,1-Dimethylethyl 2-fluoro-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
CID 73554390
tert-butyl 3-cyano-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462228
2-methylbutan-2-yl 2-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 123594623
tert-butyl (4R)-2-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 148027357
2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 60705960
2,2,2-trifluoroethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 61897593
2,2,2-trifluoroethyl 4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 65173549
C13H17F2NO2S
CID 129532323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 142686716) is ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2cc(C#N)sc2C1.
What is the InChIKey of ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is DEGXZLZMZXIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-15-11(14)13-4-3-8-5-9(6-12)16-10(8)7-13/h5H,2-4,7H2,1H3.
What are the key properties of ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 142686716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).