methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate

C9H5Cl2NO2S — CID 15290717

IUPACmethyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2sc(Cl)c(Cl)c2n1
InChIInChI=1S/C9H5Cl2NO2S/c1-14-9(13)4-2-3-5-7(12-4)6(10)8(11)15-5/h2-3H,1H3
InChIKeyQRPASPLGANBREI-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.39
Rot. Bonds1

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

methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate (PubChem CID 15290717) has the molecular formula C9H5Cl2NO2S and a molecular weight of 262.12 g/mol. Its IUPAC name is methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate
PubChem CID15290717
Molecular FormulaC9H5Cl2NO2S
Molecular Weight262.12 g/mol
Exact Mass260.94
IUPAC Namemethyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2sc(Cl)c(Cl)c2n1
InChIInChI=1S/C9H5Cl2NO2S/c1-14-9(13)4-2-3-5-7(12-4)6(10)8(11)15-5/h2-3H,1H3
InChIKeyQRPASPLGANBREI-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Chlorothiophen-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2365093
Thieno[3,2-b]pyridine-5-carboxylic acid
CID 12210216
3-Amino-5-chlorothieno[3,2-b]pyridine-2-carboxylic acid methyl ester
CID 10752715
2,3-Dichloro-5-methoxycarbonyl-4H-thieno[3,2-b]pyrrole
CID 11665979
Dimethyl 2,3-dichlorothieno[3,2-b]pyridine-5,6-dicarboxylate
CID 13752480
Methyl 3-bromothieno[3,2-b]pyridine-5-carboxylate
CID 15290716
Methyl thieno[3,2-b]pyridine-5-carboxylate
CID 18398665
Methyl 3-chlorothieno[3,2-b]pyridine-5-carboxylate
CID 18950577
3-Chlorothieno[3,2-b]pyridine-5-carboxylic acid
CID 19002850
Methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate
CID 22677251
Methyl 4-amino-3,5-dichloro-6-thiophen-2-ylpyridine-2-carboxylate
CID 22677346
Methyl 4-amino-3-chloro-6-thiophen-2-ylpyridine-2-carboxylate
CID 22677392

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate (CID 15290717) is methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2sc(Cl)c(Cl)c2n1.
What is the InChIKey of methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate?
The InChIKey is QRPASPLGANBREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2S/c1-14-9(13)4-2-3-5-7(12-4)6(10)8(11)15-5/h2-3H,1H3.
What are the key properties of methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate?
methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate has a molecular weight of 262.12 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dichlorothieno[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 15290717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).