6-bromo-2,3-dihydroindole-1-carboxylic acid

C9H8BrNO2 — CID 118865239

IUPAC6-bromo-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C9H8BrNO2/c10-7-2-1-6-3-4-11(9(12)13)8(6)5-7/h1-2,5H,3-4H2,(H,12,13)
InChIKeyHAWIIBQLAKKTFP-UHFFFAOYSA-N
MW242.07 g/mol
LogP2.49
Rot. Bonds

About 6-bromo-2,3-dihydroindole-1-carboxylic acid

6-bromo-2,3-dihydroindole-1-carboxylic acid (PubChem CID 118865239) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2,3-dihydroindole-1-carboxylic acid
PubChem CID118865239
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name6-bromo-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C9H8BrNO2/c10-7-2-1-6-3-4-11(9(12)13)8(6)5-7/h1-2,5H,3-4H2,(H,12,13)
InChIKeyHAWIIBQLAKKTFP-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
6-(difluoromethyl)-2,3-dihydroindole-1-carboxylic acid
CID 121365533
6-(difluoromethoxy)-2,3-dihydroindole-1-carboxylic acid
CID 170431060
5-(6-bromo-2,3-dihydroindole-1-carbonyl)-1-cyclopropylpyrrolidine-2-carboxylic acid
CID 132972506
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119324743
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
6-bromo-2,3-dihydroindol-1-amine
CID 22612697
1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119785525
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
CID 119785536
[1-(6-bromo-2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67496711
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 6-bromo-2,3-dihydroindole-1-carboxylic acid (CID 118865239) is 6-bromo-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 6-bromo-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 6-bromo-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is HAWIIBQLAKKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-7-2-1-6-3-4-11(9(12)13)8(6)5-7/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 6-bromo-2,3-dihydroindole-1-carboxylic acid?
6-bromo-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 242.07 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 118865239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).