2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone

C15H13BrN2O — CID 116612097

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1cncc(Br)c1)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H13BrN2O/c16-13-5-10(8-17-9-13)6-15(19)12-2-1-11-3-4-18-14(11)7-12/h1-2,5,7-9,18H,3-4,6H2
InChIKeyNBLWFZNDMFLZTM-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.24
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (PubChem CID 116612097) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
PubChem CID116612097
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1cncc(Br)c1)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H13BrN2O/c16-13-5-10(8-17-9-13)6-15(19)12-2-1-11-3-4-18-14(11)7-12/h1-2,5,7-9,18H,3-4,6H2
InChIKeyNBLWFZNDMFLZTM-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (CID 116612097) is 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is O=C(Cc1cncc(Br)c1)c1ccc2c(c1)NCC2.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The InChIKey is NBLWFZNDMFLZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-13-5-10(8-17-9-13)6-15(19)12-2-1-11-3-4-18-14(11)7-12/h1-2,5,7-9,18H,3-4,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone has a molecular weight of 317.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is sourced from PubChem (CID 116612097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).