1-(4-bromophenyl)-2-pyridin-2-yloxyethanone

C13H10BrNO2 — CID 5051630

IUPAC1-(4-bromophenyl)-2-pyridin-2-yloxyethanone
SMILESO=C(COc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO2/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2
InChIKeyOFNAPKLZUXAWJV-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone

1-(4-bromophenyl)-2-pyridin-2-yloxyethanone (PubChem CID 5051630) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-pyridin-2-yloxyethanone
PubChem CID5051630
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name1-(4-bromophenyl)-2-pyridin-2-yloxyethanone
SMILESO=C(COc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO2/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2
InChIKeyOFNAPKLZUXAWJV-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone?
The IUPAC name of 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone (CID 5051630) is 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone is O=C(COc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone?
The InChIKey is OFNAPKLZUXAWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-11-6-4-10(5-7-11)12(16)9-17-13-3-1-2-8-15-13/h1-8H,9H2.
What are the key properties of 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone?
1-(4-bromophenyl)-2-pyridin-2-yloxyethanone has a molecular weight of 292.13 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-pyridin-2-yloxyethanone is sourced from PubChem (CID 5051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).