[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine

C14H13F4N3 — CID 107292495

IUPAC[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C14H13F4N3/c1-8-2-3-10(7-20-8)13(21-19)9-4-5-11(12(15)6-9)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeyROWKQWFZKLEYSH-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.10
Rot. Bonds3

About [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine

[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine (PubChem CID 107292495) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
PubChem CID107292495
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C14H13F4N3/c1-8-2-3-10(7-20-8)13(21-19)9-4-5-11(12(15)6-9)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeyROWKQWFZKLEYSH-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.10
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

[(6-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208143
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
CID 107292241
[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031846
[(3-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105193053
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[(6-methyl-3-pyridinyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305544
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
[(4-chloro-2,5-difluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305537
[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiadiazol-5-yl)methyl]hydrazine
CID 107292527
[(3-fluoro-2-pyridinyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105257866
[(2-chlorofuran-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292531
[(5-methyl-3-pyridinyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305579

Frequently Asked Questions

What is the IUPAC name of [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine (CID 107292495) is [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine is Cc1ccc(C(NN)c2ccc(C(F)(F)F)c(F)c2)cn1.
What is the InChIKey of [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine?
The InChIKey is ROWKQWFZKLEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-8-2-3-10(7-20-8)13(21-19)9-4-5-11(12(15)6-9)14(16,17)18/h2-7,13,21H,19H2,1H3.
What are the key properties of [[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine?
[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine has a molecular weight of 299.27 g/mol, XLogP of 3.10, 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]-(6-methyl-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 107292495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).