ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate

C14H16ClF3N4O2 — CID 3411911

IUPACethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H16ClF3N4O2/c1-2-24-13(23)22-5-3-10(4-6-22)20-21-12-11(15)7-9(8-19-12)14(16,17)18/h7-8H,2-6H2,1H3,(H,19,21)
InChIKeyGJNYMKXUOXFWKA-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.77
Rot. Bonds3

About ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate (PubChem CID 3411911) has the molecular formula C14H16ClF3N4O2 and a molecular weight of 364.76 g/mol. Its IUPAC name is ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
PubChem CID3411911
Molecular FormulaC14H16ClF3N4O2
Molecular Weight364.76 g/mol
Exact Mass364.09
IUPAC Nameethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H16ClF3N4O2/c1-2-24-13(23)22-5-3-10(4-6-22)20-21-12-11(15)7-9(8-19-12)14(16,17)18/h7-8H,2-6H2,1H3,(H,19,21)
InChIKeyGJNYMKXUOXFWKA-UHFFFAOYSA-N
XLogP3.77
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
4-chloro-3-[2-(1-ethoxycarbonylpiperidin-4-ylidene)hydrazinyl]benzoate
CID 8973679
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430013
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pentanoate
CID 2405035
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3462491
ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
CID 5236956
5-chloro-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-ethoxy-3,4-difluorobenzamide
CID 89278626
ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
CID 8900489

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate (CID 3411911) is ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is GJNYMKXUOXFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O2/c1-2-24-13(23)22-5-3-10(4-6-22)20-21-12-11(15)7-9(8-19-12)14(16,17)18/h7-8H,2-6H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 364.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 3411911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).