6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide

C8H8F2N2O2 — CID 155465032

IUPAC6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(F)(F)c1ccc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C8H8F2N2O2/c1-8(9,10)5-3-2-4(6(11)13)7(14)12-5/h2-3H,1H3,(H2,11,13)(H,12,14)
InChIKeyBOPFLNKZVHNVJM-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.59
Rot. Bonds2

About 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide

6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 155465032) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID155465032
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(F)(F)c1ccc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C8H8F2N2O2/c1-8(9,10)5-3-2-4(6(11)13)7(14)12-5/h2-3H,1H3,(H2,11,13)(H,12,14)
InChIKeyBOPFLNKZVHNVJM-UHFFFAOYSA-N
XLogP0.59
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 155465032) is 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is CC(F)(F)c1ccc(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BOPFLNKZVHNVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-8(9,10)5-3-2-4(6(11)13)7(14)12-5/h2-3H,1H3,(H2,11,13)(H,12,14).
What are the key properties of 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155465032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).