1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone

C19H14BrNO — CID 90680420

IUPAC1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1cccc(Br)c1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14BrNO/c20-16-10-6-9-15(13-16)19(22)18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13,18H
InChIKeyYZZIFCWWEWCJMP-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.86
Rot. Bonds4

About 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone

1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone (PubChem CID 90680420) has the molecular formula C19H14BrNO and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
PubChem CID90680420
Molecular FormulaC19H14BrNO
Molecular Weight352.23 g/mol
Exact Mass351.03
IUPAC Name1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1cccc(Br)c1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14BrNO/c20-16-10-6-9-15(13-16)19(22)18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13,18H
InChIKeyYZZIFCWWEWCJMP-UHFFFAOYSA-N
XLogP4.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone (CID 90680420) is 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone is O=C(c1cccc(Br)c1)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The InChIKey is YZZIFCWWEWCJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO/c20-16-10-6-9-15(13-16)19(22)18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13,18H.
What are the key properties of 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone has a molecular weight of 352.23 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone is sourced from PubChem (CID 90680420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).