1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone

C14H12BrNO — CID 115799150

IUPAC1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1cccnc1
InChIInChI=1S/C14H12BrNO/c1-10-4-5-12(15)8-13(10)14(17)7-11-3-2-6-16-9-11/h2-6,8-9H,7H2,1H3
InChIKeyVAODCLMUCDKUMT-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.58
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone

1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone (PubChem CID 115799150) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
PubChem CID115799150
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1cccnc1
InChIInChI=1S/C14H12BrNO/c1-10-4-5-12(15)8-13(10)14(17)7-11-3-2-6-16-9-11/h2-6,8-9H,7H2,1H3
InChIKeyVAODCLMUCDKUMT-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

1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-[5-bromo-2-[(1S)-1-phenylethoxy]phenyl]-2-pyridin-3-ylethanone
CID 159209384
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone (CID 115799150) is 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone is Cc1ccc(Br)cc1C(=O)Cc1cccnc1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone?
The InChIKey is VAODCLMUCDKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-4-5-12(15)8-13(10)14(17)7-11-3-2-6-16-9-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone?
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone 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 1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).