[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate

C8H7F2NO4 — CID 68508385

IUPAC[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C8H7F2NO4/c1-14-8(13)15-5-3-2-4(6(9)10)11-7(5)12/h2-3,6H,1H3,(H,11,12)
InChIKeyURRLJLKMQXJWMO-UHFFFAOYSA-N
MW219.14 g/mol
LogP1.46
Rot. Bonds2

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

[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate (PubChem CID 68508385) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate
PubChem CID68508385
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C8H7F2NO4/c1-14-8(13)15-5-3-2-4(6(9)10)11-7(5)12/h2-3,6H,1H3,(H,11,12)
InChIKeyURRLJLKMQXJWMO-UHFFFAOYSA-N
XLogP1.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate?
The IUPAC name of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate (CID 68508385) is [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate.
What is the SMILES notation for [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate?
The canonical SMILES for [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate is COC(=O)Oc1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate?
The InChIKey is URRLJLKMQXJWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-14-8(13)15-5-3-2-4(6(9)10)11-7(5)12/h2-3,6H,1H3,(H,11,12).
What are the key properties of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate?
[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate has a molecular weight of 219.14 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate is sourced from PubChem (CID 68508385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).