methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate

C10H8ClNO2S — CID 130048765

IUPACmethyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ccnc(Cl)c2c1C
InChIInChI=1S/C10H8ClNO2S/c1-5-7-6(3-4-12-9(7)11)15-8(5)10(13)14-2/h3-4H,1-2H3
InChIKeyQEMANMACWZWYLO-UHFFFAOYSA-N
MW241.70 g/mol
LogP3.04
Rot. Bonds1

About methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate

methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate (PubChem CID 130048765) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate
PubChem CID130048765
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Namemethyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ccnc(Cl)c2c1C
InChIInChI=1S/C10H8ClNO2S/c1-5-7-6(3-4-12-9(7)11)15-8(5)10(13)14-2/h3-4H,1-2H3
InChIKeyQEMANMACWZWYLO-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate (CID 130048765) is methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate is COC(=O)c1sc2ccnc(Cl)c2c1C.
What is the InChIKey of methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate?
The InChIKey is QEMANMACWZWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c1-5-7-6(3-4-12-9(7)11)15-8(5)10(13)14-2/h3-4H,1-2H3.
What are the key properties of methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate?
methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate has a molecular weight of 241.70 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-methylthieno[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 130048765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).