4-bromo-1-pyridin-3-ylpyridin-2-one

C10H7BrN2O — CID 124927167

IUPAC4-bromo-1-pyridin-3-ylpyridin-2-one
SMILESO=c1cc(Br)ccn1-c1cccnc1
InChIInChI=1S/C10H7BrN2O/c11-8-3-5-13(10(14)6-8)9-2-1-4-12-7-9/h1-7H
InChIKeyOLJWUPFWTVXTHI-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.00
Rot. Bonds1

About 4-bromo-1-pyridin-3-ylpyridin-2-one

4-bromo-1-pyridin-3-ylpyridin-2-one (PubChem CID 124927167) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 4-bromo-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-pyridin-3-ylpyridin-2-one
PubChem CID124927167
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name4-bromo-1-pyridin-3-ylpyridin-2-one
SMILESO=c1cc(Br)ccn1-c1cccnc1
InChIInChI=1S/C10H7BrN2O/c11-8-3-5-13(10(14)6-8)9-2-1-4-12-7-9/h1-7H
InChIKeyOLJWUPFWTVXTHI-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 4-bromo-1-pyridin-3-ylpyridin-2-one (CID 124927167) is 4-bromo-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 4-bromo-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 4-bromo-1-pyridin-3-ylpyridin-2-one is O=c1cc(Br)ccn1-c1cccnc1.
What is the InChIKey of 4-bromo-1-pyridin-3-ylpyridin-2-one?
The InChIKey is OLJWUPFWTVXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-3-5-13(10(14)6-8)9-2-1-4-12-7-9/h1-7H.
What are the key properties of 4-bromo-1-pyridin-3-ylpyridin-2-one?
4-bromo-1-pyridin-3-ylpyridin-2-one has a molecular weight of 251.08 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 124927167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).