5-bromoindol-2-one

C8H4BrNO — CID 46739842

IUPAC5-bromoindol-2-one
SMILESO=C1C=c2cc(Br)ccc2=N1
InChIInChI=1S/C8H4BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-4H
InChIKeyWIJPTVXNOHFGJH-UHFFFAOYSA-N
MW210.03 g/mol
LogP0.39
Rot. Bonds

About 5-bromoindol-2-one

5-bromoindol-2-one (PubChem CID 46739842) has the molecular formula C8H4BrNO and a molecular weight of 210.03 g/mol. Its IUPAC name is 5-bromoindol-2-one.

Molecular Properties

Compound Name5-bromoindol-2-one
PubChem CID46739842
Molecular FormulaC8H4BrNO
Molecular Weight210.03 g/mol
Exact Mass208.95
IUPAC Name5-bromoindol-2-one
SMILESO=C1C=c2cc(Br)ccc2=N1
InChIInChI=1S/C8H4BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-4H
InChIKeyWIJPTVXNOHFGJH-UHFFFAOYSA-N
XLogP0.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromoindol-2-one?
The IUPAC name of 5-bromoindol-2-one (CID 46739842) is 5-bromoindol-2-one.
What is the SMILES notation for 5-bromoindol-2-one?
The canonical SMILES for 5-bromoindol-2-one is O=C1C=c2cc(Br)ccc2=N1.
What is the InChIKey of 5-bromoindol-2-one?
The InChIKey is WIJPTVXNOHFGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-4H.
What are the key properties of 5-bromoindol-2-one?
5-bromoindol-2-one has a molecular weight of 210.03 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoindol-2-one is sourced from PubChem (CID 46739842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).