6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H4F10N2O2 — CID 90344265

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H4F10N2O2/c11-7(12,9(16,17)10(18,19)20)3-1-2(8(13,14)15)4(5(21)23)6(24)22-3/h1H,(H2,21,23)(H,22,24)
InChIKeyZPUBJCRKAAZZBR-UHFFFAOYSA-N
MW374.13 g/mol
LogP2.78
Rot. Bonds3

About 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 90344265) has the molecular formula C10H4F10N2O2 and a molecular weight of 374.13 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID90344265
Molecular FormulaC10H4F10N2O2
Molecular Weight374.13 g/mol
Exact Mass374.01
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H4F10N2O2/c11-7(12,9(16,17)10(18,19)20)3-1-2(8(13,14)15)4(5(21)23)6(24)22-3/h1H,(H2,21,23)(H,22,24)
InChIKeyZPUBJCRKAAZZBR-UHFFFAOYSA-N
XLogP2.78
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.13
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 90344265) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1c(C(F)(F)F)cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZPUBJCRKAAZZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F10N2O2/c11-7(12,9(16,17)10(18,19)20)3-1-2(8(13,14)15)4(5(21)23)6(24)22-3/h1H,(H2,21,23)(H,22,24).
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 374.13 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90344265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).