5-bromo-1-methylpyridin-2-one

C6H6BrNO — CID 13024027

IUPAC5-bromo-1-methylpyridin-2-one
SMILESCn1cc(Br)ccc1=O
InChIInChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKeyHHVFVHIUOMMWRN-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.15
Rot. Bonds

About 5-bromo-1-methylpyridin-2-one

5-bromo-1-methylpyridin-2-one (PubChem CID 13024027) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 5-bromo-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methylpyridin-2-one
PubChem CID13024027
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name5-bromo-1-methylpyridin-2-one
SMILESCn1cc(Br)ccc1=O
InChIInChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChIKeyHHVFVHIUOMMWRN-UHFFFAOYSA-N
XLogP1.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-methylpyridin-2-one (CID 13024027) is 5-bromo-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-methylpyridin-2-one is Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-methylpyridin-2-one?
The InChIKey is HHVFVHIUOMMWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3.
What are the key properties of 5-bromo-1-methylpyridin-2-one?
5-bromo-1-methylpyridin-2-one has a molecular weight of 188.02 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyridin-2-one is sourced from PubChem (CID 13024027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).