methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate

C13H12ClNO2 — CID 117222996

IUPACmethyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Cl)c2)ccn1C
InChIInChI=1S/C13H12ClNO2/c1-15-7-6-11(12(15)13(16)17-2)9-4-3-5-10(14)8-9/h3-8H,1-2H3
InChIKeyKWHGNSNDDMIABJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.13
Rot. Bonds2

About methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate

methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate (PubChem CID 117222996) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
PubChem CID117222996
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Namemethyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(-c2cccc(Cl)c2)ccn1C
InChIInChI=1S/C13H12ClNO2/c1-15-7-6-11(12(15)13(16)17-2)9-4-3-5-10(14)8-9/h3-8H,1-2H3
InChIKeyKWHGNSNDDMIABJ-UHFFFAOYSA-N
XLogP3.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3-chlorophenyl)-1-methylpyrrole-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

Related Compounds

methyl 1-amino-3-phenylpyrrole-2-carboxylate
CID 90386150
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
methyl 3-(3-aminophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222948
methyl 4-(3-chlorophenyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylate
CID 117225195
4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
CID 82118171
methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222880
methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 68619530
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
methyl 3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 27109061
methyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
CID 68621160
methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
CID 135316727
methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
CID 168937747

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate (CID 117222996) is methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate is COC(=O)c1c(-c2cccc(Cl)c2)ccn1C.
What is the InChIKey of methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is KWHGNSNDDMIABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-15-7-6-11(12(15)13(16)17-2)9-4-3-5-10(14)8-9/h3-8H,1-2H3.
What are the key properties of methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate?
methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 249.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 117222996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).