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

C14H12BrNO — CID 115373951

IUPAC2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCc1cncc(C(=O)Cc2ccccc2Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-6-12(9-16-8-10)14(17)7-11-4-2-3-5-13(11)15/h2-6,8-9H,7H2,1H3
InChIKeyYWCYXSMKSCLXEH-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.58
Rot. Bonds3

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

2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 115373951) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID115373951
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCc1cncc(C(=O)Cc2ccccc2Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-6-12(9-16-8-10)14(17)7-11-4-2-3-5-13(11)15/h2-6,8-9H,7H2,1H3
InChIKeyYWCYXSMKSCLXEH-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
2-(2-methoxy-5-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105085291
2-(5-ethylthiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105089326
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840221
1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
CID 105091097
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
CID 115373880
2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone
CID 105110173
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone (CID 115373951) is 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone is Cc1cncc(C(=O)Cc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is YWCYXSMKSCLXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-6-12(9-16-8-10)14(17)7-11-4-2-3-5-13(11)15/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone?
2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 290.16 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 115373951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).