methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate

C11H12BrNO2 — CID 117193320

IUPACmethyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1(C)Cc2cc(Br)ccc2N1
InChIInChI=1S/C11H12BrNO2/c1-11(10(14)15-2)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,6H2,1-2H3
InChIKeyHRQWRQQHEGKRCW-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.35
Rot. Bonds1

About methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate

methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate (PubChem CID 117193320) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
PubChem CID117193320
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namemethyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1(C)Cc2cc(Br)ccc2N1
InChIInChI=1S/C11H12BrNO2/c1-11(10(14)15-2)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,6H2,1-2H3
InChIKeyHRQWRQQHEGKRCW-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193319
methyl (2S)-6-bromo-2-[(2S)-6-bromo-2-methoxycarbonyl-3-oxo-1H-inden-2-yl]-3-oxo-1H-indene-2-carboxylate
CID 164686557
methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
CID 117193354
methyl (3S)-7-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 41493740
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064
methyl 7-bromo-2-ethyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193468
ethyl 6-bromo-3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylate
CID 59778158
6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193851
methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193461
methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193490
methyl 6-fluoro-3-methyl-2,4-dihydro-1H-isoquinoline-3-carboxylate
CID 68549388

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate (CID 117193320) is methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate is COC(=O)C1(C)Cc2cc(Br)ccc2N1.
What is the InChIKey of methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate?
The InChIKey is HRQWRQQHEGKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-11(10(14)15-2)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,6H2,1-2H3.
What are the key properties of methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate?
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate has a molecular weight of 270.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 117193320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).