6-bromo-7-chloro-1H-indole-3-carboxylic acid

C9H5BrClNO2 — CID 178093253

IUPAC6-bromo-7-chloro-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)c(Br)ccc12
InChIInChI=1S/C9H5BrClNO2/c10-6-2-1-4-5(9(13)14)3-12-8(4)7(6)11/h1-3,12H,(H,13,14)
InChIKeyKPYYJWZTYZAJCE-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.28
Rot. Bonds1

About 6-bromo-7-chloro-1H-indole-3-carboxylic acid

6-bromo-7-chloro-1H-indole-3-carboxylic acid (PubChem CID 178093253) has the molecular formula C9H5BrClNO2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 6-bromo-7-chloro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-chloro-1H-indole-3-carboxylic acid
PubChem CID178093253
Molecular FormulaC9H5BrClNO2
Molecular Weight274.50 g/mol
Exact Mass272.92
IUPAC Name6-bromo-7-chloro-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)c(Br)ccc12
InChIInChI=1S/C9H5BrClNO2/c10-6-2-1-4-5(9(13)14)3-12-8(4)7(6)11/h1-3,12H,(H,13,14)
InChIKeyKPYYJWZTYZAJCE-UHFFFAOYSA-N
XLogP3.28
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-1H-indole-3-carboxylic acid?
The IUPAC name of 6-bromo-7-chloro-1H-indole-3-carboxylic acid (CID 178093253) is 6-bromo-7-chloro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-bromo-7-chloro-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-bromo-7-chloro-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2c(Cl)c(Br)ccc12.
What is the InChIKey of 6-bromo-7-chloro-1H-indole-3-carboxylic acid?
The InChIKey is KPYYJWZTYZAJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO2/c10-6-2-1-4-5(9(13)14)3-12-8(4)7(6)11/h1-3,12H,(H,13,14).
What are the key properties of 6-bromo-7-chloro-1H-indole-3-carboxylic acid?
6-bromo-7-chloro-1H-indole-3-carboxylic acid has a molecular weight of 274.50 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 178093253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).