methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate

C9H8ClNO2S — CID 20885451

IUPACmethyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(Cl)cc2n1C
InChIInChI=1S/C9H8ClNO2S/c1-11-5-4-8(10)14-7(5)3-6(11)9(12)13-2/h3-4H,1-2H3
InChIKeyHILSXZQGVNDHSY-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.68
Rot. Bonds1

About methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate

methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 20885451) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID20885451
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Namemethyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(Cl)cc2n1C
InChIInChI=1S/C9H8ClNO2S/c1-11-5-4-8(10)14-7(5)3-6(11)9(12)13-2/h3-4H,1-2H3
InChIKeyHILSXZQGVNDHSY-UHFFFAOYSA-N
XLogP2.68
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 20885451) is methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2sc(Cl)cc2n1C.
What is the InChIKey of methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HILSXZQGVNDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c1-11-5-4-8(10)14-7(5)3-6(11)9(12)13-2/h3-4H,1-2H3.
What are the key properties of methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 229.69 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20885451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).