methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate

C15H12F3N3O2 — CID 8974838

IUPACmethyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O2/c1-23-14(22)12-5-3-2-4-10(12)8-20-21-13-7-6-11(9-19-13)15(16,17)18/h2-9H,1H3,(H,19,21)/b20-8-
InChIKeyWCHNQPIPLGPESU-ZBKNUEDVSA-N
MW323.27 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate (PubChem CID 8974838) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
PubChem CID8974838
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Namemethyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O2/c1-23-14(22)12-5-3-2-4-10(12)8-20-21-13-7-6-11(9-19-13)15(16,17)18/h2-9H,1H3,(H,19,21)/b20-8-
InChIKeyWCHNQPIPLGPESU-ZBKNUEDVSA-N
XLogP3.33
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.33
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'}

Analyze methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate with MolForge

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Related Compounds

N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109789
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
N-[(Z)-[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126103998
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
N-[(Z)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126075676
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
methyl 2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzoate
CID 134116924
N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126106857
N-[[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 2322247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate (CID 8974838) is methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate?
The InChIKey is WCHNQPIPLGPESU-ZBKNUEDVSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-23-14(22)12-5-3-2-4-10(12)8-20-21-13-7-6-11(9-19-13)15(16,17)18/h2-9H,1H3,(H,19,21)/b20-8-.
What are the key properties of methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate has a molecular weight of 323.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8974838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).