5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one

C6H6BrNO2 — CID 90235329

IUPAC5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1CO
InChIInChI=1S/C6H6BrNO2/c7-5-1-4(3-9)6(10)8-2-5/h1-2,9H,3H2,(H,8,10)
InChIKeyOGSDHARUPWHNQU-UHFFFAOYSA-N
MW204.02 g/mol
LogP0.63
Rot. Bonds1

About 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one

5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 90235329) has the molecular formula C6H6BrNO2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID90235329
Molecular FormulaC6H6BrNO2
Molecular Weight204.02 g/mol
Exact Mass202.96
IUPAC Name5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1CO
InChIInChI=1S/C6H6BrNO2/c7-5-1-4(3-9)6(10)8-2-5/h1-2,9H,3H2,(H,8,10)
InChIKeyOGSDHARUPWHNQU-UHFFFAOYSA-N
XLogP0.63
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one (CID 90235329) is 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1CO.
What is the InChIKey of 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is OGSDHARUPWHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2/c7-5-1-4(3-9)6(10)8-2-5/h1-2,9H,3H2,(H,8,10).
What are the key properties of 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one?
5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 204.02 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 90235329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).