1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one

C13H11BrN2O — CID 104798805

IUPAC1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)Cc1cncc(Br)c1
InChIInChI=1S/C13H11BrN2O/c14-12-5-11(8-16-9-12)7-13(17)6-10-1-3-15-4-2-10/h1-5,8-9H,6-7H2
InChIKeyDGCCDMXREBORQY-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.59
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one

1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one (PubChem CID 104798805) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
PubChem CID104798805
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)Cc1cncc(Br)c1
InChIInChI=1S/C13H11BrN2O/c14-12-5-11(8-16-9-12)7-13(17)6-10-1-3-15-4-2-10/h1-5,8-9H,6-7H2
InChIKeyDGCCDMXREBORQY-UHFFFAOYSA-N
XLogP2.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one
CID 115801231
4-amino-1-(5-bromo-3-pyridinyl)butan-2-one
CID 116550854
1-(5-bromo-3-pyridinyl)-4-methylsulfanylbutan-2-one
CID 105128936
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
1-(5-bromo-3-pyridinyl)-3-tert-butylsulfanylpropan-2-one
CID 104798962
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
CID 105128853
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one (CID 104798805) is 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is DGCCDMXREBORQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-12-5-11(8-16-9-12)7-13(17)6-10-1-3-15-4-2-10/h1-5,8-9H,6-7H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one?
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 291.15 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 104798805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).