1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone

C14H12BrNO — CID 53433089

IUPAC1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2)nc1C
InChIInChI=1S/C14H12BrNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyYSKWXWXSTOWRKS-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.02
Rot. Bonds2

About 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone

1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone (PubChem CID 53433089) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone
PubChem CID53433089
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2)nc1C
InChIInChI=1S/C14H12BrNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyYSKWXWXSTOWRKS-UHFFFAOYSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone (CID 53433089) is 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2ccc(Br)cc2)nc1C.
What is the InChIKey of 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone?
The InChIKey is YSKWXWXSTOWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3.
What are the key properties of 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone?
1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone has a molecular weight of 290.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone is sourced from PubChem (CID 53433089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).