5-bromo-2-methoxy-1H-pyridin-4-one

C6H6BrNO2 — CID 74890654

IUPAC5-bromo-2-methoxy-1H-pyridin-4-one
SMILESCOc1cc(=O)c(Br)c[nH]1
InChIInChI=1S/C6H6BrNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9)
InChIKeyXWVMFMZVTCXEMA-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.15
Rot. Bonds1

About 5-bromo-2-methoxy-1H-pyridin-4-one

5-bromo-2-methoxy-1H-pyridin-4-one (PubChem CID 74890654) has the molecular formula C6H6BrNO2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 5-bromo-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-methoxy-1H-pyridin-4-one
PubChem CID74890654
Molecular FormulaC6H6BrNO2
Molecular Weight204.02 g/mol
Exact Mass202.96
IUPAC Name5-bromo-2-methoxy-1H-pyridin-4-one
SMILESCOc1cc(=O)c(Br)c[nH]1
InChIInChI=1S/C6H6BrNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9)
InChIKeyXWVMFMZVTCXEMA-UHFFFAOYSA-N
XLogP1.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-methoxy-1H-pyridin-4-one (CID 74890654) is 5-bromo-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-methoxy-1H-pyridin-4-one is COc1cc(=O)c(Br)c[nH]1.
What is the InChIKey of 5-bromo-2-methoxy-1H-pyridin-4-one?
The InChIKey is XWVMFMZVTCXEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9).
What are the key properties of 5-bromo-2-methoxy-1H-pyridin-4-one?
5-bromo-2-methoxy-1H-pyridin-4-one has a molecular weight of 204.02 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 74890654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).