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

C19H14BrNO — CID 90680419

IUPAC1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1ccccc1Br)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14BrNO/c20-16-11-5-4-10-15(16)19(22)18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13,18H
InChIKeyDXVCNAZOXZHAMR-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.86
Rot. Bonds4

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

1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone (PubChem CID 90680419) has the molecular formula C19H14BrNO and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
PubChem CID90680419
Molecular FormulaC19H14BrNO
Molecular Weight352.23 g/mol
Exact Mass351.03
IUPAC Name1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1ccccc1Br)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C19H14BrNO/c20-16-11-5-4-10-15(16)19(22)18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13,18H
InChIKeyDXVCNAZOXZHAMR-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-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone (CID 90680419) is 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone is O=C(c1ccccc1Br)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
The InChIKey is DXVCNAZOXZHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO/c20-16-11-5-4-10-15(16)19(22)18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13,18H.
What are the key properties of 1-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone?
1-(2-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-(2-bromophenyl)-2-phenyl-2-pyridin-2-ylethanone is sourced from PubChem (CID 90680419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).