1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one

C10H6BrFN2O — CID 171846420

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one
SMILESO=c1ccccn1-c1ncc(Br)cc1F
InChIInChI=1S/C10H6BrFN2O/c11-7-5-8(12)10(13-6-7)14-4-2-1-3-9(14)15/h1-6H
InChIKeyIIIPAJYVPNPESL-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.13
Rot. Bonds1

About 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one

1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one (PubChem CID 171846420) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one
PubChem CID171846420
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one
SMILESO=c1ccccn1-c1ncc(Br)cc1F
InChIInChI=1S/C10H6BrFN2O/c11-7-5-8(12)10(13-6-7)14-4-2-1-3-9(14)15/h1-6H
InChIKeyIIIPAJYVPNPESL-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one (CID 171846420) is 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one is O=c1ccccn1-c1ncc(Br)cc1F.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one?
The InChIKey is IIIPAJYVPNPESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-7-5-8(12)10(13-6-7)14-4-2-1-3-9(14)15/h1-6H.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one?
1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one has a molecular weight of 269.07 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)pyridin-2-one is sourced from PubChem (CID 171846420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).