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

C9H10BrN — CID 19361435

IUPAC5-bromo-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyYIRSVRZXIXHOSN-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.44
Rot. Bonds

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

5-bromo-1-methyl-2,3-dihydroindole (PubChem CID 19361435) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 5-bromo-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-methyl-2,3-dihydroindole
PubChem CID19361435
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name5-bromo-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyYIRSVRZXIXHOSN-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene
CID 101076081
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 86049563
1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
CID 116997148
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole
CID 66312211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-methyl-2,3-dihydroindole (CID 19361435) is 5-bromo-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-methyl-2,3-dihydroindole is CN1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-2,3-dihydroindole?
The InChIKey is YIRSVRZXIXHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-bromo-1-methyl-2,3-dihydroindole?
5-bromo-1-methyl-2,3-dihydroindole has a molecular weight of 212.09 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 19361435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).