5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one

C20H14Br2N2O — CID 102494025

IUPAC5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C20H14Br2N2O/c21-14-6-4-13(5-7-14)20(12-16-3-1-2-10-23-16)17-11-15(22)8-9-18(17)24-19(20)25/h1-11H,12H2,(H,24,25)
InChIKeySHFPDWSHFWWCJA-UHFFFAOYSA-N
MW458.15 g/mol
LogP5.09
Rot. Bonds3

About 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one

5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one (PubChem CID 102494025) has the molecular formula C20H14Br2N2O and a molecular weight of 458.15 g/mol. Its IUPAC name is 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one
PubChem CID102494025
Molecular FormulaC20H14Br2N2O
Molecular Weight458.15 g/mol
Exact Mass455.95
IUPAC Name5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C20H14Br2N2O/c21-14-6-4-13(5-7-14)20(12-16-3-1-2-10-23-16)17-11-15(22)8-9-18(17)24-19(20)25/h1-11H,12H2,(H,24,25)
InChIKeySHFPDWSHFWWCJA-UHFFFAOYSA-N
XLogP5.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.15
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one (CID 102494025) is 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1(Cc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The InChIKey is SHFPDWSHFWWCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2O/c21-14-6-4-13(5-7-14)20(12-16-3-1-2-10-23-16)17-11-15(22)8-9-18(17)24-19(20)25/h1-11H,12H2,(H,24,25).
What are the key properties of 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one has a molecular weight of 458.15 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-bromophenyl)-3-(pyridin-2-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 102494025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).