N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide

C13H10F7N3O2 — CID 5369919

IUPACN'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide
SMILESC/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccnc1
InChIInChI=1S/C13H10F7N3O2/c1-7(22-23-10(25)8-3-2-4-21-6-8)5-9(24)11(14,15)12(16,17)13(18,19)20/h2-6,22H,1H3,(H,23,25)/b7-5+
InChIKeyFDUFLKYKEKIYCE-FNORWQNLSA-N
MW373.23 g/mol
LogP2.62
Rot. Bonds6

About N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide

N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide (PubChem CID 5369919) has the molecular formula C13H10F7N3O2 and a molecular weight of 373.23 g/mol. Its IUPAC name is N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide
PubChem CID5369919
Molecular FormulaC13H10F7N3O2
Molecular Weight373.23 g/mol
Exact Mass373.07
IUPAC NameN'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide
SMILESC/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccnc1
InChIInChI=1S/C13H10F7N3O2/c1-7(22-23-10(25)8-3-2-4-21-6-8)5-9(24)11(14,15)12(16,17)13(18,19)20/h2-6,22H,1H3,(H,23,25)/b7-5+
InChIKeyFDUFLKYKEKIYCE-FNORWQNLSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide (CID 5369919) is N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide is C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide?
The InChIKey is FDUFLKYKEKIYCE-FNORWQNLSA-N. The full InChI is InChI=1S/C13H10F7N3O2/c1-7(22-23-10(25)8-3-2-4-21-6-8)5-9(24)11(14,15)12(16,17)13(18,19)20/h2-6,22H,1H3,(H,23,25)/b7-5+.
What are the key properties of N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide?
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide has a molecular weight of 373.23 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 5369919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).