1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone

C19H16BrNO — CID 122368719

IUPAC1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccccc2)C=C1c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO/c1-14(22)21-12-11-17(15-5-3-2-4-6-15)13-19(21)16-7-9-18(20)10-8-16/h2-11,13H,12H2,1H3
InChIKeyBWVMDGRAWGKHOP-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.74
Rot. Bonds2

About 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone

1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone (PubChem CID 122368719) has the molecular formula C19H16BrNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone
PubChem CID122368719
Molecular FormulaC19H16BrNO
Molecular Weight354.25 g/mol
Exact Mass353.04
IUPAC Name1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccccc2)C=C1c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO/c1-14(22)21-12-11-17(15-5-3-2-4-6-15)13-19(21)16-7-9-18(20)10-8-16/h2-11,13H,12H2,1H3
InChIKeyBWVMDGRAWGKHOP-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,3-bis(4-bromophenyl)-5-phenylpyrrol-1-yl]ethanone
CID 102223215
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
tert-butyl 4-(4-bromophenyl)-2H-pyridine-1-carboxylate
CID 11067667
[(4S)-4-amino-6-(4-bromophenyl)-3,4-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 138968528
1-[5-(4-bromophenyl)-3-(1-methylindol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3649891
benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-(9-bromo-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 86070768
(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate
CID 158543366
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
(3E)-3-[(4-bromophenyl)methylidene]-1-(4-methylphenyl)-5-phenylpyrrol-2-one
CID 6305373
1-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 1211650

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone (CID 122368719) is 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2ccccc2)C=C1c1ccc(Br)cc1.
What is the InChIKey of 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone?
The InChIKey is BWVMDGRAWGKHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO/c1-14(22)21-12-11-17(15-5-3-2-4-6-15)13-19(21)16-7-9-18(20)10-8-16/h2-11,13H,12H2,1H3.
What are the key properties of 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone?
1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone has a molecular weight of 354.25 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromophenyl)-4-phenyl-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 122368719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).