methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate

C10H9Cl2NO2 — CID 82479218

IUPACmethyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C10H9Cl2NO2/c1-15-10(14)13-3-2-6-4-7(11)5-8(12)9(6)13/h4-5H,2-3H2,1H3
InChIKeyLKGUYSBMMOFUBE-UHFFFAOYSA-N
MW246.09 g/mol
LogP3.12
Rot. Bonds

About methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate

methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate (PubChem CID 82479218) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
PubChem CID82479218
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Namemethyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C10H9Cl2NO2/c1-15-10(14)13-3-2-6-4-7(11)5-8(12)9(6)13/h4-5H,2-3H2,1H3
InChIKeyLKGUYSBMMOFUBE-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 82483275
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82483276
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
5,7-dichloro-2,3-dihydroindol-1-amine
CID 151713616
N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide
CID 24877939
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
2-amino-1-(7-bromo-5-chloro-2,3-dihydroindol-1-yl)ethanone
CID 82489732
methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate
CID 22382719
tert-butyl 5-chloro-7-(1,3-dioxoisoindol-2-yl)sulfanyl-2,3-dihydroindole-1-carboxylate
CID 10972059
methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803307
methyl 7-bromo-5-chloro-3,3-dimethyl-2H-indole-1-carboxylate
CID 82490290

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate (CID 82479218) is methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate is COC(=O)N1CCc2cc(Cl)cc(Cl)c21.
What is the InChIKey of methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate?
The InChIKey is LKGUYSBMMOFUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-15-10(14)13-3-2-6-4-7(11)5-8(12)9(6)13/h4-5H,2-3H2,1H3.
What are the key properties of methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate?
methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate has a molecular weight of 246.09 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dichloro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 82479218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).