5-bromo-2-methoxy-2,3-dihydro-1H-indole

C9H10BrNO — CID 160760418

IUPAC5-bromo-2-methoxy-2,3-dihydro-1H-indole
SMILESCOC1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H10BrNO/c1-12-9-5-6-4-7(10)2-3-8(6)11-9/h2-4,9,11H,5H2,1H3
InChIKeyGJRDECYDTUKHAW-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.39
Rot. Bonds1

About 5-bromo-2-methoxy-2,3-dihydro-1H-indole

5-bromo-2-methoxy-2,3-dihydro-1H-indole (PubChem CID 160760418) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-2-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-2-methoxy-2,3-dihydro-1H-indole
PubChem CID160760418
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name5-bromo-2-methoxy-2,3-dihydro-1H-indole
SMILESCOC1Cc2cc(Br)ccc2N1
InChIInChI=1S/C9H10BrNO/c1-12-9-5-6-4-7(10)2-3-8(6)11-9/h2-4,9,11H,5H2,1H3
InChIKeyGJRDECYDTUKHAW-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 101024891
CID 101024891
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146165201
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83867014
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193851
methyl 2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10401600
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
CID 84641162
methyl 2-(2-bromo-6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)acetate
CID 19591908
N-[2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]propan-2-amine
CID 67530768
5-bromo-2-[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]-3-fluorophenol
CID 90298097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 5-bromo-2-methoxy-2,3-dihydro-1H-indole (CID 160760418) is 5-bromo-2-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-2-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-bromo-2-methoxy-2,3-dihydro-1H-indole is COC1Cc2cc(Br)ccc2N1.
What is the InChIKey of 5-bromo-2-methoxy-2,3-dihydro-1H-indole?
The InChIKey is GJRDECYDTUKHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-12-9-5-6-4-7(10)2-3-8(6)11-9/h2-4,9,11H,5H2,1H3.
What are the key properties of 5-bromo-2-methoxy-2,3-dihydro-1H-indole?
5-bromo-2-methoxy-2,3-dihydro-1H-indole has a molecular weight of 228.09 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 160760418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).