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

C14H12BrNO — CID 66447293

IUPAC1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C14H12BrNO/c1-10-2-7-13(16-9-10)8-14(17)11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3
InChIKeyBWDPMJKDGOGGER-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.58
Rot. Bonds3

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

1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 66447293) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID66447293
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C14H12BrNO/c1-10-2-7-13(16-9-10)8-14(17)11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3
InChIKeyBWDPMJKDGOGGER-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone (CID 66447293) is 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2ccc(Br)cc2)nc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is BWDPMJKDGOGGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-2-7-13(16-9-10)8-14(17)11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
1-(4-bromophenyl)-2-(5-methyl-2-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 1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66447293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).