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

C7H5F2NO4 — CID 68501113

IUPAC[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H5F2NO4/c8-5(9)3-1-2-4(6(11)10-3)14-7(12)13/h1-2,5H,(H,10,11)(H,12,13)
InChIKeyFFJUVTYOCRRFLB-UHFFFAOYSA-N
MW205.12 g/mol
LogP1.37
Rot. Bonds2

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

[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate (PubChem CID 68501113) has the molecular formula C7H5F2NO4 and a molecular weight of 205.12 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
PubChem CID68501113
Molecular FormulaC7H5F2NO4
Molecular Weight205.12 g/mol
Exact Mass205.02
IUPAC Name[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H5F2NO4/c8-5(9)3-1-2-4(6(11)10-3)14-7(12)13/h1-2,5H,(H,10,11)(H,12,13)
InChIKeyFFJUVTYOCRRFLB-UHFFFAOYSA-N
XLogP1.37
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate
CID 68503155
[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
CID 68505043
[5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
CID 68506374
methyl [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] carbonate
CID 68506893
[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] methyl carbonate
CID 68508385
[5-chloro-6-[chloro(difluoro)methyl]-2-oxo-1H-pyridin-3-yl] hydrogen carbonate
CID 117799911
3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
CID 143740836
6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092717
6-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
CID 130094526
6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130096962
4-hydroxy-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130971504
(6-methyl-2-oxo-1H-pyridin-3-yl) hydrogen carbonate
CID 89698769

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
The IUPAC name of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate (CID 68501113) is [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate.
What is the SMILES notation for [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
The canonical SMILES for [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate is O=C(O)Oc1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
The InChIKey is FFJUVTYOCRRFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO4/c8-5(9)3-1-2-4(6(11)10-3)14-7(12)13/h1-2,5H,(H,10,11)(H,12,13).
What are the key properties of [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate?
[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate has a molecular weight of 205.12 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl] hydrogen carbonate is sourced from PubChem (CID 68501113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).