6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

C10H10BrNO2 — CID 83901198

IUPAC6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCc1cc2c(cc1Br)NC(C(=O)O)C2
InChIInChI=1S/C10H10BrNO2/c1-5-2-6-3-9(10(13)14)12-8(6)4-7(5)11/h2,4,9,12H,3H2,1H3,(H,13,14)
InChIKeyJXXVGEWIOMECIX-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.18
Rot. Bonds1

About 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 83901198) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID83901198
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCc1cc2c(cc1Br)NC(C(=O)O)C2
InChIInChI=1S/C10H10BrNO2/c1-5-2-6-3-9(10(13)14)12-8(6)4-7(5)11/h2,4,9,12H,3H2,1H3,(H,13,14)
InChIKeyJXXVGEWIOMECIX-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
CID 112711991
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130616337
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 175311120
(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124583906
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83883117
4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 127264904
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 139021106
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130001280
5-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174547945

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (CID 83901198) is 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is Cc1cc2c(cc1Br)NC(C(=O)O)C2.
What is the InChIKey of 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is JXXVGEWIOMECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-5-2-6-3-9(10(13)14)12-8(6)4-7(5)11/h2,4,9,12H,3H2,1H3,(H,13,14).
What are the key properties of 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 256.10 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83901198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).