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

C9H6ClNO2S — CID 59424429

IUPACmethyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-6-8(14-7)5(10)2-3-11-6/h2-4H,1H3
InChIKeyWYMRMHKAXXQOMO-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.74
Rot. Bonds1

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

methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate (PubChem CID 59424429) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
PubChem CID59424429
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Namemethyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-6-8(14-7)5(10)2-3-11-6/h2-4H,1H3
InChIKeyWYMRMHKAXXQOMO-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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Frequently Asked Questions

What is the IUPAC name of methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate (CID 59424429) is methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1cc2nccc(Cl)c2s1.
What is the InChIKey of methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is WYMRMHKAXXQOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-13-9(12)7-4-6-8(14-7)5(10)2-3-11-6/h2-4H,1H3.
What are the key properties of methyl 7-chlorothieno[3,2-b]pyridine-2-carboxylate?
methyl 7-chlorothieno[3,2-b]pyridine-2-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-2-carboxylate is sourced from PubChem (CID 59424429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).