ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate

C10H11F3N4O2 — CID 134442748

IUPACethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N/Nc1cccnc1C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c1-2-19-9(18)8(14)17-16-6-4-3-5-15-7(6)10(11,12)13/h3-5,16H,2H2,1H3,(H2,14,17)
InChIKeyLDEPQLPWONDXJW-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.35
Rot. Bonds3

About ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate

ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate (PubChem CID 134442748) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate
PubChem CID134442748
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Nameethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N/Nc1cccnc1C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c1-2-19-9(18)8(14)17-16-6-4-3-5-15-7(6)10(11,12)13/h3-5,16H,2H2,1H3,(H2,14,17)
InChIKeyLDEPQLPWONDXJW-UHFFFAOYSA-N
XLogP1.35
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate
CID 12857760
ethyl 3,4-dihydroxy-4-[2-(trifluoromethyl)-3-pyridinyl]butanoate
CID 171897786
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
ethyl 2-[(2E)-2-(1-chloro-2,2,2-trifluoroethylidene)hydrazinyl]pyridine-3-carboxylate
CID 166597115
ethyl 2-oxo-2-(2-quinolin-8-ylhydrazinyl)acetate
CID 5202354
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate (CID 134442748) is ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate is CCOC(=O)/C(N)=N/Nc1cccnc1C(F)(F)F.
What is the InChIKey of ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate?
The InChIKey is LDEPQLPWONDXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-2-19-9(18)8(14)17-16-6-4-3-5-15-7(6)10(11,12)13/h3-5,16H,2H2,1H3,(H2,14,17).
What are the key properties of ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate?
ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate has a molecular weight of 276.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-amino-2-[[2-(trifluoromethyl)-3-pyridinyl]hydrazinylidene]acetate is sourced from PubChem (CID 134442748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).