5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one

C14H8Br2N2O — CID 57206232

IUPAC5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1=Cc1cccnc1
InChIInChI=1S/C14H8Br2N2O/c15-9-5-10-11(4-8-2-1-3-17-7-8)14(19)18-13(10)12(16)6-9/h1-7H,(H,18,19)
InChIKeyOYVYJOOHYZBKPD-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.10
Rot. Bonds1

About 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one

5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one (PubChem CID 57206232) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one
PubChem CID57206232
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1=Cc1cccnc1
InChIInChI=1S/C14H8Br2N2O/c15-9-5-10-11(4-8-2-1-3-17-7-8)14(19)18-13(10)12(16)6-9/h1-7H,(H,18,19)
InChIKeyOYVYJOOHYZBKPD-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one (CID 57206232) is 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one is O=C1Nc2c(Br)cc(Br)cc2C1=Cc1cccnc1.
What is the InChIKey of 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is OYVYJOOHYZBKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-9-5-10-11(4-8-2-1-3-17-7-8)14(19)18-13(10)12(16)6-9/h1-7H,(H,18,19).
What are the key properties of 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one?
5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 380.04 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-(pyridin-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 57206232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).