ethyl 6,7-dichloro-1-methylindole-2-carboxylate

C12H11Cl2NO2 — CID 56945983

IUPACethyl 6,7-dichloro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C12H11Cl2NO2/c1-3-17-12(16)9-6-7-4-5-8(13)10(14)11(7)15(9)2/h4-6H,3H2,1-2H3
InChIKeySUVWFOGSNZGINY-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.66
Rot. Bonds2

About ethyl 6,7-dichloro-1-methylindole-2-carboxylate

ethyl 6,7-dichloro-1-methylindole-2-carboxylate (PubChem CID 56945983) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is ethyl 6,7-dichloro-1-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloro-1-methylindole-2-carboxylate
PubChem CID56945983
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Nameethyl 6,7-dichloro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C12H11Cl2NO2/c1-3-17-12(16)9-6-7-4-5-8(13)10(14)11(7)15(9)2/h4-6H,3H2,1-2H3
InChIKeySUVWFOGSNZGINY-UHFFFAOYSA-N
XLogP3.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6,7-dichloro-1-methylindole-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

ethyl 7-(dimethylamino)-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 166475904
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
ethyl 4-chloro-1-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]indole-2-carboxylate
CID 21194467
ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
ethyl 7,8-dichloro-1-oxo-2H-isoquinoline-3-carboxylate
CID 14027810
ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
CID 19374234
ethyl 5-[bis(2-chloroethyl)amino]-1-methylindole-2-carboxylate
CID 10688716
ethyl 2-(2-ethoxy-2-oxoethyl)-4-formyl-9-methyl-2,3-dihydropyrrolo[3,2-h][1,4]benzoxazine-8-carboxylate
CID 139248843
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
The IUPAC name of ethyl 6,7-dichloro-1-methylindole-2-carboxylate (CID 56945983) is ethyl 6,7-dichloro-1-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
The canonical SMILES for ethyl 6,7-dichloro-1-methylindole-2-carboxylate is CCOC(=O)c1cc2ccc(Cl)c(Cl)c2n1C.
What is the InChIKey of ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
The InChIKey is SUVWFOGSNZGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-3-17-12(16)9-6-7-4-5-8(13)10(14)11(7)15(9)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6,7-dichloro-1-methylindole-2-carboxylate?
ethyl 6,7-dichloro-1-methylindole-2-carboxylate has a molecular weight of 272.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloro-1-methylindole-2-carboxylate is sourced from PubChem (CID 56945983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).