ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate

C10H8ClNO2S — CID 15565869

IUPACethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccsc2c1Cl
InChIInChI=1S/C10H8ClNO2S/c1-2-14-10(13)6-5-12-7-3-4-15-9(7)8(6)11/h3-5H,2H2,1H3
InChIKeyBMGRDHCUAJOXDZ-UHFFFAOYSA-N
MW241.70 g/mol
LogP3.13
Rot. Bonds2

About ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate

ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate (PubChem CID 15565869) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate
PubChem CID15565869
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Nameethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccsc2c1Cl
InChIInChI=1S/C10H8ClNO2S/c1-2-14-10(13)6-5-12-7-3-4-15-9(7)8(6)11/h3-5H,2H2,1H3
InChIKeyBMGRDHCUAJOXDZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzo[b]thiophen-2-yl-nicotinic acid methylester
CID 46228238
Methyl 6-thiophen-3-ylpyridine-3-carboxylate
CID 155679166
Methyl 6-formylthieno(3,2-b)pyridine-3-carboxylate
CID 101526039
Methyl 3-aminothieno[3,2-c]pyridine-2-carboxylate
CID 13793448
5-Chlorothieno[3,2-b]pyridine-6-carboxylic acid
CID 14025920
Thieno(3,2-b)pyridine-6-carboxylic acid
CID 14025922
Methyl thieno[3,2-b]pyridine-3-carboxylate
CID 45073292
Thieno(3,2-b)pyridine-3-carboxylic acid
CID 66520716
Methyl 7-bromothieno[3,2-b]pyridine-3-carboxylate
CID 155463614
Ethyl 3-bromo-7-chlorothieno[3,2-b]pyridine-6-carboxylate
CID 163397206
Ethyl 6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 2809345
Methyl 7-chlorothieno(3,2-b)pyridine-6-carboxylate
CID 14809182

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate (CID 15565869) is ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2ccsc2c1Cl.
What is the InChIKey of ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is BMGRDHCUAJOXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c1-2-14-10(13)6-5-12-7-3-4-15-9(7)8(6)11/h3-5H,2H2,1H3.
What are the key properties of ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate?
ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 241.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 15565869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).