1-bromo-3-ethylindole-2-carboxylic acid

C11H10BrNO2 — CID 175183160

IUPAC1-bromo-3-ethylindole-2-carboxylic acid
SMILESCCc1c(C(=O)O)n(Br)c2ccccc12
InChIInChI=1S/C11H10BrNO2/c1-2-7-8-5-3-4-6-9(8)13(12)10(7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyGEISQCBNTQSBSS-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.06
Rot. Bonds2

About 1-bromo-3-ethylindole-2-carboxylic acid

1-bromo-3-ethylindole-2-carboxylic acid (PubChem CID 175183160) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-bromo-3-ethylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-ethylindole-2-carboxylic acid
PubChem CID175183160
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name1-bromo-3-ethylindole-2-carboxylic acid
SMILESCCc1c(C(=O)O)n(Br)c2ccccc12
InChIInChI=1S/C11H10BrNO2/c1-2-7-8-5-3-4-6-9(8)13(12)10(7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyGEISQCBNTQSBSS-UHFFFAOYSA-N
XLogP3.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
ethyl 1-bromo-3-chloroindole-2-carboxylate
CID 90912569
3-(2-amino-2-oxoethyl)-1-methylindole-2-carboxylic acid
CID 12826450
1-ethyl-3-[(3-phenylpropylamino)methyl]indole-2-carboxylic acid
CID 53207032
3-[2-(azepan-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 15999504
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
3-(3-methoxy-3-oxopropyl)-1-methylindole-2-carboxylic acid
CID 163856217
3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid
CID 68966812
3-methoxy-1-propylindole-2-carboxylic acid
CID 154108725
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethylindole-2-carboxylic acid?
The IUPAC name of 1-bromo-3-ethylindole-2-carboxylic acid (CID 175183160) is 1-bromo-3-ethylindole-2-carboxylic acid.
What is the SMILES notation for 1-bromo-3-ethylindole-2-carboxylic acid?
The canonical SMILES for 1-bromo-3-ethylindole-2-carboxylic acid is CCc1c(C(=O)O)n(Br)c2ccccc12.
What is the InChIKey of 1-bromo-3-ethylindole-2-carboxylic acid?
The InChIKey is GEISQCBNTQSBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-7-8-5-3-4-6-9(8)13(12)10(7)11(14)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 1-bromo-3-ethylindole-2-carboxylic acid?
1-bromo-3-ethylindole-2-carboxylic acid has a molecular weight of 268.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethylindole-2-carboxylic acid is sourced from PubChem (CID 175183160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).