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

C9H6ClNO2S — CID 84691442

IUPACmethyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccnc(Cl)c2s1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3
InChIKeyFASHAAOEDQHMIT-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.74
Rot. Bonds1

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

methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate (PubChem CID 84691442) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate
PubChem CID84691442
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Namemethyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2ccnc(Cl)c2s1
InChIInChI=1S/C9H6ClNO2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3
InChIKeyFASHAAOEDQHMIT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate (CID 84691442) is methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2ccnc(Cl)c2s1.
What is the InChIKey of methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is FASHAAOEDQHMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c1-13-9(12)6-4-5-2-3-11-8(10)7(5)14-6/h2-4H,1H3.
What are the key properties of methyl 7-chlorothieno[2,3-c]pyridine-2-carboxylate?
methyl 7-chlorothieno[2,3-c]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[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 84691442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).