methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate

C9H6ClNO2S — CID 66353308

IUPACmethyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2sccc2n1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-5(10)8-6(11-7)2-3-14-8/h2-4H,1H3
InChIKeyXDIJEBAMDHFWPM-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.74
Rot. Bonds1

About methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate

methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate (PubChem CID 66353308) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate
PubChem CID66353308
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Namemethyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2sccc2n1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-5(10)8-6(11-7)2-3-14-8/h2-4H,1H3
InChIKeyXDIJEBAMDHFWPM-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-chloro-4H-thieno(3,2-b)pyrrole-5-carboxylate
CID 6623194
2-(5-Chlorothiophen-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2365093
Methyl 4-chloro-2-(trifluoromethyl)thieno(3,4-b)pyridine-7-carboxylate
CID 2775350
Thieno[3,2-b]pyridine-5-carboxylic acid
CID 12210216
4-Fluorothieno[2,3-d]pyridine-6-carboxylic acid ethyl ester
CID 162639406
Methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate
CID 6623372
Methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
CID 2780353
Methyl 5-chloro-7-(difluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
CID 146452686
2-(Difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid
CID 84692458
methyl 2-chloro-4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 20885451
Xeszykfzpytrjt-uhfffaoysa-
CID 21728835
Ethyl 7-ethenylthieno[2,3-c]pyridine-5-carboxylate
CID 21728836

Frequently Asked Questions

What is the IUPAC name of methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate (CID 66353308) is methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate is COC(=O)c1cc(Cl)c2sccc2n1.
What is the InChIKey of methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate?
The InChIKey is XDIJEBAMDHFWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-5(10)8-6(11-7)2-3-14-8/h2-4H,1H3.
What are the key properties of methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate?
methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate has a molecular weight of 227.67 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chlorothieno[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 66353308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).