3-bromo-7-chloro-1H-indole-2-carboxylic acid

C9H5BrClNO2 — CID 84810523

IUPAC3-bromo-7-chloro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(Cl)cccc2c1Br
InChIInChI=1S/C9H5BrClNO2/c10-6-4-2-1-3-5(11)7(4)12-8(6)9(13)14/h1-3,12H,(H,13,14)
InChIKeyPWUMFGQTJFKIHO-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.28
Rot. Bonds1

About 3-bromo-7-chloro-1H-indole-2-carboxylic acid

3-bromo-7-chloro-1H-indole-2-carboxylic acid (PubChem CID 84810523) has the molecular formula C9H5BrClNO2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 3-bromo-7-chloro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-7-chloro-1H-indole-2-carboxylic acid
PubChem CID84810523
Molecular FormulaC9H5BrClNO2
Molecular Weight274.50 g/mol
Exact Mass272.92
IUPAC Name3-bromo-7-chloro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(Cl)cccc2c1Br
InChIInChI=1S/C9H5BrClNO2/c10-6-4-2-1-3-5(11)7(4)12-8(6)9(13)14/h1-3,12H,(H,13,14)
InChIKeyPWUMFGQTJFKIHO-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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Related Compounds

2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
7-chloro-3-ethyl-1H-indole-2-carboxylic acid
CID 84624480
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
2,3-dibromo-7-chloro-1H-indole
CID 12706664
(3-bromo-7-chloro-1H-indol-2-yl)methanol
CID 115048681
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893
5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
CID 96595111
2-(3-bromo-7-chloro-1H-indol-2-yl)ethanamine
CID 84641985
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-1H-indole-2-carboxylic acid?
The IUPAC name of 3-bromo-7-chloro-1H-indole-2-carboxylic acid (CID 84810523) is 3-bromo-7-chloro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-bromo-7-chloro-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-bromo-7-chloro-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(Cl)cccc2c1Br.
What is the InChIKey of 3-bromo-7-chloro-1H-indole-2-carboxylic acid?
The InChIKey is PWUMFGQTJFKIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO2/c10-6-4-2-1-3-5(11)7(4)12-8(6)9(13)14/h1-3,12H,(H,13,14).
What are the key properties of 3-bromo-7-chloro-1H-indole-2-carboxylic acid?
3-bromo-7-chloro-1H-indole-2-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 3-bromo-7-chloro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 84810523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).