2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone

C13H11BrN2O — CID 104798902

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C13H11BrN2O/c1-9-4-5-15-12(6-9)13(17)7-11-3-2-10(14)8-16-11/h2-6,8H,7H2,1H3
InChIKeyOHYJFELOWCRIQM-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 104798902) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
PubChem CID104798902
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2ccc(Br)cn2)c1
InChIInChI=1S/C13H11BrN2O/c1-9-4-5-15-12(6-9)13(17)7-11-3-2-10(14)8-16-11/h2-6,8H,7H2,1H3
InChIKeyOHYJFELOWCRIQM-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-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 104799331
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
2-(5-bromo-2-pyridinyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255296
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
CID 104798887
1-(5-bromo-2-pyridinyl)-4-(3-methylphenoxy)butan-2-one
CID 105128757

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone (CID 104798902) is 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone is Cc1ccnc(C(=O)Cc2ccc(Br)cn2)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is OHYJFELOWCRIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-4-5-15-12(6-9)13(17)7-11-3-2-10(14)8-16-11/h2-6,8H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(4-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-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 104798902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).