[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate

C7H4BrF2NO4 — CID 68506374

IUPAC[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1cc(Br)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4BrF2NO4/c8-2-1-3(15-7(13)14)6(12)11-4(2)5(9)10/h1,5H,(H,11,12)(H,13,14)
InChIKeyYQYXMNHHOBQITG-UHFFFAOYSA-N
MW284.01 g/mol
LogP2.13
Rot. Bonds2

About [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate

[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate (PubChem CID 68506374) has the molecular formula C7H4BrF2NO4 and a molecular weight of 284.01 g/mol. Its IUPAC name is [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
PubChem CID68506374
Molecular FormulaC7H4BrF2NO4
Molecular Weight284.01 g/mol
Exact Mass282.93
IUPAC Name[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1cc(Br)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4BrF2NO4/c8-2-1-3(15-7(13)14)6(12)11-4(2)5(9)10/h1,5H,(H,11,12)(H,13,14)
InChIKeyYQYXMNHHOBQITG-UHFFFAOYSA-N
XLogP2.13
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.01
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
The IUPAC name of [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate (CID 68506374) is [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate.
What is the SMILES notation for [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
The canonical SMILES for [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate is O=C(O)Oc1cc(Br)c(C(F)F)[nH]c1=O.
What is the InChIKey of [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
The InChIKey is YQYXMNHHOBQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO4/c8-2-1-3(15-7(13)14)6(12)11-4(2)5(9)10/h1,5H,(H,11,12)(H,13,14).
What are the key properties of [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate has a molecular weight of 284.01 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate is sourced from PubChem (CID 68506374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).