2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone

C13H11BrN2O — CID 104798767

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-16-13(9)12(17)6-10-5-11(14)8-15-7-10/h2-5,7-8H,6H2,1H3
InChIKeyIWKQFCGQDQJIES-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone

2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone (PubChem CID 104798767) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
PubChem CID104798767
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C13H11BrN2O/c1-9-3-2-4-16-13(9)12(17)6-10-5-11(14)8-15-7-10/h2-5,7-8H,6H2,1H3
InChIKeyIWKQFCGQDQJIES-UHFFFAOYSA-N
XLogP2.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754739
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
CID 107356806
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone (CID 104798767) is 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1C(=O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is IWKQFCGQDQJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-3-2-4-16-13(9)12(17)6-10-5-11(14)8-15-7-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 291.15 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 104798767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).