1-bromo-3-methylpyridin-2-one

C6H6BrNO — CID 160501630

IUPAC1-bromo-3-methylpyridin-2-one
SMILESCc1cccn(Br)c1=O
InChIInChI=1S/C6H6BrNO/c1-5-3-2-4-8(7)6(5)9/h2-4H,1H3
InChIKeyQRVYNQHSBHAOOK-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.31
Rot. Bonds

About 1-bromo-3-methylpyridin-2-one

1-bromo-3-methylpyridin-2-one (PubChem CID 160501630) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 1-bromo-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-bromo-3-methylpyridin-2-one
PubChem CID160501630
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name1-bromo-3-methylpyridin-2-one
SMILESCc1cccn(Br)c1=O
InChIInChI=1S/C6H6BrNO/c1-5-3-2-4-8(7)6(5)9/h2-4H,1H3
InChIKeyQRVYNQHSBHAOOK-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylpyridin-2-one?
The IUPAC name of 1-bromo-3-methylpyridin-2-one (CID 160501630) is 1-bromo-3-methylpyridin-2-one.
What is the SMILES notation for 1-bromo-3-methylpyridin-2-one?
The canonical SMILES for 1-bromo-3-methylpyridin-2-one is Cc1cccn(Br)c1=O.
What is the InChIKey of 1-bromo-3-methylpyridin-2-one?
The InChIKey is QRVYNQHSBHAOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-5-3-2-4-8(7)6(5)9/h2-4H,1H3.
What are the key properties of 1-bromo-3-methylpyridin-2-one?
1-bromo-3-methylpyridin-2-one has a molecular weight of 188.02 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methylpyridin-2-one is sourced from PubChem (CID 160501630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).