2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone

C15H13BrN2O — CID 69120685

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)N1CCc2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-12-5-6-13(17-10-12)9-15(19)18-8-7-11-3-1-2-4-14(11)18/h1-6,10H,7-9H2
InChIKeyBUXKXXXHIHLTDG-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.98
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 69120685) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID69120685
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)N1CCc2ccccc21
InChIInChI=1S/C15H13BrN2O/c16-12-5-6-13(17-10-12)9-15(19)18-8-7-11-3-1-2-4-14(11)18/h1-6,10H,7-9H2
InChIKeyBUXKXXXHIHLTDG-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 69120685) is 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(Cc1ccc(Br)cn1)N1CCc2ccccc21.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BUXKXXXHIHLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-12-5-6-13(17-10-12)9-15(19)18-8-7-11-3-1-2-4-14(11)18/h1-6,10H,7-9H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 317.19 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 69120685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).