methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate

C11H10ClNO2S — CID 70855499

IUPACmethyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(Cl)c(C)s2)[nH]1
InChIInChI=1S/C11H10ClNO2S/c1-6-7(12)5-10(16-6)8-3-4-9(13-8)11(14)15-2/h3-5,13H,1-2H3
InChIKeyISFAWDNMCQNDHF-UHFFFAOYSA-N
MW255.73 g/mol
LogP3.49
Rot. Bonds2

About methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate

methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 70855499) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
PubChem CID70855499
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Namemethyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(Cl)c(C)s2)[nH]1
InChIInChI=1S/C11H10ClNO2S/c1-6-7(12)5-10(16-6)8-3-4-9(13-8)11(14)15-2/h3-5,13H,1-2H3
InChIKeyISFAWDNMCQNDHF-UHFFFAOYSA-N
XLogP3.49
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 141074208
methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate
CID 117222306
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102453349
methyl 5-(2-bromophenyl)-1H-pyrrole-2-carboxylate
CID 117222354
methyl 5-fluoro-1H-pyrrole-2-carboxylate
CID 118498377
methyl 5-(2-formylthiophen-3-yl)-1H-pyrrole-2-carboxylate
CID 12748825
methyl 5-chlorosulfonyl-1H-pyrrole-2-carboxylate
CID 88791493
methyl 2-(2-chlorophenyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 39733827
methyl 5-(4-methoxy-6-methylpyrimidin-5-yl)-1H-pyrrole-2-carboxylate
CID 163269595
methyl 5-(2-methoxy-2-oxoacetyl)-1H-pyrrole-2-carboxylate
CID 44718745
methyl 5-[1-benzyl-5-[1-benzyl-5-[1-benzyl-5-(5-methoxycarbonyl-1H-pyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-1H-pyrrole-2-carboxylate
CID 101456575

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate (CID 70855499) is methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(-c2cc(Cl)c(C)s2)[nH]1.
What is the InChIKey of methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is ISFAWDNMCQNDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-6-7(12)5-10(16-6)8-3-4-9(13-8)11(14)15-2/h3-5,13H,1-2H3.
What are the key properties of methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 255.73 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chloro-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 70855499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).