[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine

C14H14F3N3O — CID 105285707

IUPAC[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
SMILESCOc1ccccc1C(NN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O/c1-21-12-5-3-2-4-10(12)13(20-18)11-7-6-9(8-19-11)14(15,16)17/h2-8,13,20H,18H2,1H3
InChIKeyJOEPZWMVRQAEDR-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.66
Rot. Bonds4

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

[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine (PubChem CID 105285707) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
PubChem CID105285707
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
SMILESCOc1ccccc1C(NN)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O/c1-21-12-5-3-2-4-10(12)13(20-18)11-7-6-9(8-19-11)14(15,16)17/h2-8,13,20H,18H2,1H3
InChIKeyJOEPZWMVRQAEDR-UHFFFAOYSA-N
XLogP2.66
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The IUPAC name of [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine (CID 105285707) is [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine is COc1ccccc1C(NN)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The InChIKey is JOEPZWMVRQAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-12-5-3-2-4-10(12)13(20-18)11-7-6-9(8-19-11)14(15,16)17/h2-8,13,20H,18H2,1H3.
What are the key properties of [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine has a molecular weight of 297.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 105285707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).