N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide

C11H10F3N3O2 — CID 74689752

IUPACN'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
SMILESCC(=CC(=O)C(F)(F)F)NNC(=O)c1ccccn1
InChIInChI=1S/C11H10F3N3O2/c1-7(6-9(18)11(12,13)14)16-17-10(19)8-4-2-3-5-15-8/h2-6,16H,1H3,(H,17,19)
InChIKeyCMSQECUGYIAZTQ-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.35
Rot. Bonds4

About N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide

N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide (PubChem CID 74689752) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
PubChem CID74689752
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC NameN'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
SMILESCC(=CC(=O)C(F)(F)F)NNC(=O)c1ccccn1
InChIInChI=1S/C11H10F3N3O2/c1-7(6-9(18)11(12,13)14)16-17-10(19)8-4-2-3-5-15-8/h2-6,16H,1H3,(H,17,19)
InChIKeyCMSQECUGYIAZTQ-UHFFFAOYSA-N
XLogP1.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.35
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'}

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Related Compounds

(Z)-1,1,1-trifluoro-4-(pyridin-2-ylamino)pent-3-en-2-one
CID 7084676
(Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-2-ylbut-3-en-2-one
CID 6917131
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate
CID 58366262
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
methyl 2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]pyridine-3-carboxylate
CID 11673668
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298
(E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one
CID 818325

Frequently Asked Questions

What is the IUPAC name of N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide (CID 74689752) is N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide is CC(=CC(=O)C(F)(F)F)NNC(=O)c1ccccn1.
What is the InChIKey of N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide?
The InChIKey is CMSQECUGYIAZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-7(6-9(18)11(12,13)14)16-17-10(19)8-4-2-3-5-15-8/h2-6,16H,1H3,(H,17,19).
What are the key properties of N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide?
N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide has a molecular weight of 273.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 74689752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).