[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine

C14H13F4N3 — CID 107292272

IUPAC[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
SMILESNNC(Cc1cccnc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H13F4N3/c15-12-7-10(3-4-11(12)14(16,17)18)13(21-19)6-9-2-1-5-20-8-9/h1-5,7-8,13,21H,6,19H2
InChIKeyKIICBXFKQDBKDN-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.99
Rot. Bonds4

About [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine

[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine (PubChem CID 107292272) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
PubChem CID107292272
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine
SMILESNNC(Cc1cccnc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H13F4N3/c15-12-7-10(3-4-11(12)14(16,17)18)13(21-19)6-9-2-1-5-20-8-9/h1-5,7-8,13,21H,6,19H2
InChIKeyKIICBXFKQDBKDN-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.99
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-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
CID 107292241
[1-(6-chloro-3-pyridinyl)-2-pyridin-3-ylethyl]hydrazine
CID 105253061
[1-(4-bromo-3-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333727
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212034
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[1-(3,4-difluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105197180
[1-(4-methylsulfonylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333643
[1-(3-bromo-5-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333652
[1-(2-bromo-4-chlorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 107997285
[1-(4-cyclopropyloxyphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105212080
[1-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235142
(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105206014

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine?
The IUPAC name of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine (CID 107292272) is [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine.
What is the SMILES notation for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine?
The canonical SMILES for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine is NNC(Cc1cccnc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine?
The InChIKey is KIICBXFKQDBKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c15-12-7-10(3-4-11(12)14(16,17)18)13(21-19)6-9-2-1-5-20-8-9/h1-5,7-8,13,21H,6,19H2.
What are the key properties of [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine?
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine has a molecular weight of 299.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethyl]hydrazine is sourced from PubChem (CID 107292272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).