methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate

C14H10ClNO2S — CID 39733827

IUPACmethyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(-c3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C14H10ClNO2S/c1-18-14(17)11-7-13-10(16-11)6-12(19-13)8-4-2-3-5-9(8)15/h2-7,16H,1H3
InChIKeyIPBXQXVUZLRKMY-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.34
Rot. Bonds2

About methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate

methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 39733827) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID39733827
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Namemethyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(-c3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C14H10ClNO2S/c1-18-14(17)11-7-13-10(16-11)6-12(19-13)8-4-2-3-5-9(8)15/h2-7,16H,1H3
InChIKeyIPBXQXVUZLRKMY-UHFFFAOYSA-N
XLogP4.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
CID 135358278
dimethyl 3-(2,3-dichlorophenyl)-1H-pyrrole-2,5-dicarboxylate
CID 12832892
methyl 4-chloro-6-phenoxy-1H-indole-2-carboxylate
CID 135358602
methyl 4,5-dioxo-1H-benzo[g]indole-2-carboxylate
CID 14969611
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 6-(3,4-dichlorophenyl)sulfanyl-4-phenyl-1H-indole-2-carboxylate
CID 142453809
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 70855499
methyl 5-(2-chlorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 13290682
methyl 4-(2-chlorophenyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 86660450
methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
CID 95275818

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate (CID 39733827) is methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2sc(-c3ccccc3Cl)cc2[nH]1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is IPBXQXVUZLRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c1-18-14(17)11-7-13-10(16-11)6-12(19-13)8-4-2-3-5-9(8)15/h2-7,16H,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 291.76 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 39733827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).