[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine

C13H13F3N4O — CID 105329743

IUPAC[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
SMILESCOc1cncc(C(NN)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H13F3N4O/c1-21-10-4-8(5-18-7-10)12(20-17)11-3-2-9(6-19-11)13(14,15)16/h2-7,12,20H,17H2,1H3
InChIKeyMIVAFVYNYUSEQS-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.06
Rot. Bonds4

About [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine

[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine (PubChem CID 105329743) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
PubChem CID105329743
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
SMILESCOc1cncc(C(NN)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H13F3N4O/c1-21-10-4-8(5-18-7-10)12(20-17)11-3-2-9(6-19-11)13(14,15)16/h2-7,12,20H,17H2,1H3
InChIKeyMIVAFVYNYUSEQS-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105286222
[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105285707
N-methyl-1-(5-methyl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105173821
[pyridin-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105287046
[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
[(5-methoxy-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105329816
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302
[(3-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105193182
[(4-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105204218
[(5-fluoro-2-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105302169
[(2-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329831
[(2-bromophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105208806

Frequently Asked Questions

What is the IUPAC name of [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The IUPAC name of [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine (CID 105329743) is [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine is COc1cncc(C(NN)c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The InChIKey is MIVAFVYNYUSEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-21-10-4-8(5-18-7-10)12(20-17)11-3-2-9(6-19-11)13(14,15)16/h2-7,12,20H,17H2,1H3.
What are the key properties of [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
[(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine has a molecular weight of 298.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 105329743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).