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

C9H5BrClNO2 — CID 3292932

IUPAC5-bromo-7-chloro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cc(Cl)c2[nH]1
InChIInChI=1S/C9H5BrClNO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
InChIKeyKNMMKGRZJTYUGJ-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.28
Rot. Bonds1

About 5-bromo-7-chloro-1H-indole-2-carboxylic acid

5-bromo-7-chloro-1H-indole-2-carboxylic acid (PubChem CID 3292932) has the molecular formula C9H5BrClNO2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 5-bromo-7-chloro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-7-chloro-1H-indole-2-carboxylic acid
PubChem CID3292932
Molecular FormulaC9H5BrClNO2
Molecular Weight274.50 g/mol
Exact Mass272.92
IUPAC Name5-bromo-7-chloro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cc(Cl)c2[nH]1
InChIInChI=1S/C9H5BrClNO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
InChIKeyKNMMKGRZJTYUGJ-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 5-bromo-7-chloro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-bromo-7-chloro-1H-indole-2-carboxylic acid (CID 3292932) is 5-bromo-7-chloro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-7-chloro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-bromo-7-chloro-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(Br)cc(Cl)c2[nH]1.
What is the InChIKey of 5-bromo-7-chloro-1H-indole-2-carboxylic acid?
The InChIKey is KNMMKGRZJTYUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14).
What are the key properties of 5-bromo-7-chloro-1H-indole-2-carboxylic acid?
5-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 5-bromo-7-chloro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 3292932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).