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

C11H12N2O2S — CID 141131373

IUPACethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(C#N)csc2C1
InChIInChI=1S/C11H12N2O2S/c1-2-15-11(14)13-4-3-9-8(5-12)7-16-10(9)6-13/h7H,2-4,6H2,1H3
InChIKeyKWMZDNSAVYDHOM-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.13
Rot. Bonds1

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

ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 141131373) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID141131373
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Nameethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(C#N)csc2C1
InChIInChI=1S/C11H12N2O2S/c1-2-15-11(14)13-4-3-9-8(5-12)7-16-10(9)6-13/h7H,2-4,6H2,1H3
InChIKeyKWMZDNSAVYDHOM-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

ethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816609
tert-butyl 3-cyano-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462228
tert-butyl 3-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 151250640
tert-butyl N-[(4-cyano-3-methylthiophen-2-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 17936820
5-t-Butoxycarbonyl-3-methyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine
CID 18377353
ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 60709158
prop-1-en-2-yl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 89072177
tert-butyl 2-bromo-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462118
tert-butyl 2-chloro-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462243
1,1-Dimethylethyl 4,7-dihydro-3-methylthieno[2,3-c]pyridine-6(5H)-carboxylate
CID 123180770
tert-butyl 3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 123355738
tert-butyl 2,3-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 123367219

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 141131373) is ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(C#N)csc2C1.
What is the InChIKey of ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is KWMZDNSAVYDHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-15-11(14)13-4-3-9-8(5-12)7-16-10(9)6-13/h7H,2-4,6H2,1H3.
What are the key properties of ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 3-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 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 141131373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).