1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide

C9H8F4N2O2 — CID 157299113

IUPAC1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide
SMILESCn1c(C(F)(F)C(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C9H8F4N2O2/c1-15-5(9(12,13)8(10)11)3-2-4(6(14)16)7(15)17/h2-3,8H,1H3,(H2,14,16)
InChIKeyBBRMDPOMWVLILH-UHFFFAOYSA-N
MW252.17 g/mol
LogP0.84
Rot. Bonds3

About 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide

1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide (PubChem CID 157299113) has the molecular formula C9H8F4N2O2 and a molecular weight of 252.17 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide
PubChem CID157299113
Molecular FormulaC9H8F4N2O2
Molecular Weight252.17 g/mol
Exact Mass252.05
IUPAC Name1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide
SMILESCn1c(C(F)(F)C(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C9H8F4N2O2/c1-15-5(9(12,13)8(10)11)3-2-4(6(14)16)7(15)17/h2-3,8H,1H3,(H2,14,16)
InChIKeyBBRMDPOMWVLILH-UHFFFAOYSA-N
XLogP0.84
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide (CID 157299113) is 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide is Cn1c(C(F)(F)C(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide?
The InChIKey is BBRMDPOMWVLILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O2/c1-15-5(9(12,13)8(10)11)3-2-4(6(14)16)7(15)17/h2-3,8H,1H3,(H2,14,16).
What are the key properties of 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide?
1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide has a molecular weight of 252.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157299113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).