[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine

C13H11F4N3 — CID 107292241

IUPAC[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
SMILESNNC(c1cccnc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H11F4N3/c14-11-6-8(3-4-10(11)13(15,16)17)12(20-18)9-2-1-5-19-7-9/h1-7,12,20H,18H2
InChIKeyFUWLRORSHKIIDM-UHFFFAOYSA-N
MW285.24 g/mol
LogP2.79
Rot. Bonds3

About [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine

[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine (PubChem CID 107292241) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine.

Molecular Properties

Compound Name[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
PubChem CID107292241
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
SMILESNNC(c1cccnc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H11F4N3/c14-11-6-8(3-4-10(11)13(15,16)17)12(20-18)9-2-1-5-19-7-9/h1-7,12,20H,18H2
InChIKeyFUWLRORSHKIIDM-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(3,4-difluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196161
[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 107292495
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
CID 107292272
[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiadiazol-5-yl)methyl]hydrazine
CID 107292527
[(5-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196222
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
[(2-chlorofuran-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292531
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031846
1-[[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 89310504
[pyridin-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105287046

Frequently Asked Questions

What is the IUPAC name of [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine?
The IUPAC name of [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine (CID 107292241) is [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine.
What is the SMILES notation for [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine?
The canonical SMILES for [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine is NNC(c1cccnc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine?
The InChIKey is FUWLRORSHKIIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c14-11-6-8(3-4-10(11)13(15,16)17)12(20-18)9-2-1-5-19-7-9/h1-7,12,20H,18H2.
What are the key properties of [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine?
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine has a molecular weight of 285.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine is sourced from PubChem (CID 107292241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).