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

C10H8Br2N2O4 — CID 158718996

IUPAC3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1Br.O=c1cc(O)cc[nH]1
InChIInChI=1S/C5H3Br2NO2.C5H5NO2/c6-2-1-8-5(10)3(7)4(2)9;7-4-1-2-6-5(8)3-4/h1H,(H2,8,9,10);1-3H,(H2,6,7,8)
InChIKeyIJRCVZBWAQARCC-UHFFFAOYSA-N
MW379.99 g/mol
LogP1.69
Rot. Bonds

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

3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one (PubChem CID 158718996) has the molecular formula C10H8Br2N2O4 and a molecular weight of 379.99 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one
PubChem CID158718996
Molecular FormulaC10H8Br2N2O4
Molecular Weight379.99 g/mol
Exact Mass377.89
IUPAC Name3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1Br.O=c1cc(O)cc[nH]1
InChIInChI=1S/C5H3Br2NO2.C5H5NO2/c6-2-1-8-5(10)3(7)4(2)9;7-4-1-2-6-5(8)3-4/h1H,(H2,8,9,10);1-3H,(H2,6,7,8)
InChIKeyIJRCVZBWAQARCC-UHFFFAOYSA-N
XLogP1.69
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.99
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-4-hydroxypyridin-2(1h)-one
CID 54715668
3-bromo-1H-pyridin-2-one;1H-pyridin-2-one
CID 158787427
5-bromo-4-hydroxy-1H-pyridin-2-one;3,5-dibromo-4-hydroxy-1H-pyridin-2-one
CID 161381408
bis(4-hydroxy-1H-pyridin-2-one);hydrochloride
CID 161888000
4-hydroxy-1H-pyridin-2-one;6-hydroxy-1H-pyridin-2-one
CID 170308323
CID 174223465
CID 174223465
formaldehyde;bis(4-hydroxy-1H-pyridin-2-one)
CID 174765805
3-bromo-4-hydroxypyridin-2(1H)-one-5,6-d2
CID 172403749

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one (CID 158718996) is 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(Br)c(O)c1Br.O=c1cc(O)cc[nH]1.
What is the InChIKey of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one?
The InChIKey is IJRCVZBWAQARCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NO2.C5H5NO2/c6-2-1-8-5(10)3(7)4(2)9;7-4-1-2-6-5(8)3-4/h1H,(H2,8,9,10);1-3H,(H2,6,7,8).
What are the key properties of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one?
3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one has a molecular weight of 379.99 g/mol, XLogP of 1.69, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-hydroxy-1H-pyridin-2-one;4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 158718996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).