methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate

C7H7Cl2NO2 — CID 86688707

IUPACmethyl 2,5-dichloro-1-methylpyrrole-3-carboxylate
SMILESCOC(=O)c1cc(Cl)n(C)c1Cl
InChIInChI=1S/C7H7Cl2NO2/c1-10-5(8)3-4(6(10)9)7(11)12-2/h3H,1-2H3
InChIKeyVWIYURGPCXTRRX-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.12
Rot. Bonds1

About methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate

methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate (PubChem CID 86688707) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dichloro-1-methylpyrrole-3-carboxylate
PubChem CID86688707
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Namemethyl 2,5-dichloro-1-methylpyrrole-3-carboxylate
SMILESCOC(=O)c1cc(Cl)n(C)c1Cl
InChIInChI=1S/C7H7Cl2NO2/c1-10-5(8)3-4(6(10)9)7(11)12-2/h3H,1-2H3
InChIKeyVWIYURGPCXTRRX-UHFFFAOYSA-N
XLogP2.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2,5-dichloro-1-methylpyrrole-3-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 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662
methyl 2-tert-butyl-4,5-dichlorobenzoate
CID 59441386
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)methyl]-5-methylbenzoate
CID 1211689
methyl 2,5-dichloro-1H-pyrrole-3-carboxylate
CID 86688706
4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963
dimethyl 2,5-ditert-butylbenzene-1,4-dicarboxylate
CID 11833728
methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
CID 159349463
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 6-acetyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxylate
CID 167311064
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate?
The IUPAC name of methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate (CID 86688707) is methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate?
The canonical SMILES for methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate is COC(=O)c1cc(Cl)n(C)c1Cl.
What is the InChIKey of methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate?
The InChIKey is VWIYURGPCXTRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2/c1-10-5(8)3-4(6(10)9)7(11)12-2/h3H,1-2H3.
What are the key properties of methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate?
methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate has a molecular weight of 208.04 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate is sourced from PubChem (CID 86688707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).