1-(5-bromo-2-pyridin-2-ylphenyl)ethanone

C13H10BrNO — CID 150349124

IUPAC1-(5-bromo-2-pyridin-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(Br)ccc1-c1ccccn1
InChIInChI=1S/C13H10BrNO/c1-9(16)12-8-10(14)5-6-11(12)13-4-2-3-7-15-13/h2-8H,1H3
InChIKeyGTIVRNWQHOBXNF-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.71
Rot. Bonds2

About 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone

1-(5-bromo-2-pyridin-2-ylphenyl)ethanone (PubChem CID 150349124) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-pyridin-2-ylphenyl)ethanone
PubChem CID150349124
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name1-(5-bromo-2-pyridin-2-ylphenyl)ethanone
SMILESCC(=O)c1cc(Br)ccc1-c1ccccn1
InChIInChI=1S/C13H10BrNO/c1-9(16)12-8-10(14)5-6-11(12)13-4-2-3-7-15-13/h2-8H,1H3
InChIKeyGTIVRNWQHOBXNF-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone (CID 150349124) is 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone is CC(=O)c1cc(Br)ccc1-c1ccccn1.
What is the InChIKey of 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone?
The InChIKey is GTIVRNWQHOBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c1-9(16)12-8-10(14)5-6-11(12)13-4-2-3-7-15-13/h2-8H,1H3.
What are the key properties of 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone?
1-(5-bromo-2-pyridin-2-ylphenyl)ethanone has a molecular weight of 276.13 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridin-2-ylphenyl)ethanone is sourced from PubChem (CID 150349124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).