1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone

C13H14ClF3N4O — CID 3561796

IUPAC1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H14ClF3N4O/c1-8(22)21-4-2-10(3-5-21)19-20-12-11(14)6-9(7-18-12)13(15,16)17/h6-7H,2-5H2,1H3,(H,18,20)
InChIKeyZJKXPVVTIBERDW-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.16
Rot. Bonds2

About 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone

1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone (PubChem CID 3561796) has the molecular formula C13H14ClF3N4O and a molecular weight of 334.73 g/mol. Its IUPAC name is 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone
PubChem CID3561796
Molecular FormulaC13H14ClF3N4O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C13H14ClF3N4O/c1-8(22)21-4-2-10(3-5-21)19-20-12-11(14)6-9(7-18-12)13(15,16)17/h6-7H,2-5H2,1H3,(H,18,20)
InChIKeyZJKXPVVTIBERDW-UHFFFAOYSA-N
XLogP3.16
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3386297
Ethyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]piperidine-1-carboxylate
CID 3411911
2-{4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile
CID 4252437
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N''-methylcarbonic dihydrazide
CID 1481929
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2-(cyclopropylmethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3720200
3-chloro-2-[(E)-2-[(pyridin-4-yl)methylidene]hydrazin-1-yl]-5-(trifluoromethyl)pyridine
CID 9656711
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-N'-(2-cyanoethanimidoyl)butanohydrazide
CID 16195052
1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-(methylamino)ethan-1-one hydrochloride
CID 16195952
4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2(1H)-pyrimidinone
CID 1475958
2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetohydrazide
CID 2773897
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-methylprop-2-enehydrazide
CID 3727405

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone (CID 3561796) is 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone is CC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone?
The InChIKey is ZJKXPVVTIBERDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4O/c1-8(22)21-4-2-10(3-5-21)19-20-12-11(14)6-9(7-18-12)13(15,16)17/h6-7H,2-5H2,1H3,(H,18,20).
What are the key properties of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone?
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone has a molecular weight of 334.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidin-1-yl]ethanone is sourced from PubChem (CID 3561796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).