1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one

C16H15BrN2O — CID 56788356

IUPAC1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCc2ccc(Br)cc21
InChIInChI=1S/C16H15BrN2O/c17-14-5-4-13-7-9-19(15(13)10-14)16(20)6-3-12-2-1-8-18-11-12/h1-2,4-5,8,10-11H,3,6-7,9H2
InChIKeyWPPCNJATXQOJGM-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.37
Rot. Bonds3

About 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one

1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 56788356) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID56788356
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCc2ccc(Br)cc21
InChIInChI=1S/C16H15BrN2O/c17-14-5-4-13-7-9-19(15(13)10-14)16(20)6-3-12-2-1-8-18-11-12/h1-2,4-5,8,10-11H,3,6-7,9H2
InChIKeyWPPCNJATXQOJGM-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one (CID 56788356) is 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CCc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is WPPCNJATXQOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-14-5-4-13-7-9-19(15(13)10-14)16(20)6-3-12-2-1-8-18-11-12/h1-2,4-5,8,10-11H,3,6-7,9H2.
What are the key properties of 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one?
1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 331.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 56788356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).