5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one

C10H7Br3N2O4 — CID 161381408

IUPAC5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1Br.O=c1cc(O)c(Br)c[nH]1
InChIInChI=1S/C5H3Br2NO2.C5H4BrNO2/c6-2-1-8-5(10)3(7)4(2)9;6-3-2-7-5(9)1-4(3)8/h1H,(H2,8,9,10);1-2H,(H2,7,8,9)
InChIKeyVRTQNSMOITYFDC-UHFFFAOYSA-N
MW458.89 g/mol
LogP2.45
Rot. Bonds

About 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one

5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one (PubChem CID 161381408) has the molecular formula C10H7Br3N2O4 and a molecular weight of 458.89 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one
PubChem CID161381408
Molecular FormulaC10H7Br3N2O4
Molecular Weight458.89 g/mol
Exact Mass455.80
IUPAC Name5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1Br.O=c1cc(O)c(Br)c[nH]1
InChIInChI=1S/C5H3Br2NO2.C5H4BrNO2/c6-2-1-8-5(10)3(7)4(2)9;6-3-2-7-5(9)1-4(3)8/h1H,(H2,8,9,10);1-2H,(H2,7,8,9)
InChIKeyVRTQNSMOITYFDC-UHFFFAOYSA-N
XLogP2.45
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.89
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-4-hydroxy-2(1H)-pyridinone
CID 54734254
3-Bromo-4-hydroxypyridin-2(1h)-one
CID 54715668
3,5-Dibromo-4-hydroxypyridin-2(1H)-one
CID 54708939
3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one
CID 158718996
3-bromo-4-hydroxypyridin-2(1H)-one-5,6-d2
CID 172403749

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one (CID 161381408) is 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(Br)c(O)c1Br.O=c1cc(O)c(Br)c[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
The InChIKey is VRTQNSMOITYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NO2.C5H4BrNO2/c6-2-1-8-5(10)3(7)4(2)9;6-3-2-7-5(9)1-4(3)8/h1H,(H2,8,9,10);1-2H,(H2,7,8,9).
What are the key properties of 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one has a molecular weight of 458.89 g/mol, XLogP of 2.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 161381408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).