[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

C13H11ClF3N3 — CID 105252881

IUPAC[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClF3N3/c14-11-7-9(5-6-19-11)12(20-18)8-1-3-10(4-2-8)13(15,16)17/h1-7,12,20H,18H2
InChIKeyXJYQUJSSGCHBCA-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.31
Rot. Bonds3

About [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105252881) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105252881
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C13H11ClF3N3/c14-11-7-9(5-6-19-11)12(20-18)8-1-3-10(4-2-8)13(15,16)17/h1-7,12,20H,18H2
InChIKeyXJYQUJSSGCHBCA-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-methyl-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106756526
[(4-chloro-3-methylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302305
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
[(2,6-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302320
[(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106694360
3-[(2-chloro-4-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105252731
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(2-chloro-4-pyridinyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105252636
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699
[(3-chloro-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301346
[(3-bromothiophen-2-yl)-(2-chloro-4-pyridinyl)methyl]hydrazine
CID 105252869
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105252881) is [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1.
What is the InChIKey of [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is XJYQUJSSGCHBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c14-11-7-9(5-6-19-11)12(20-18)8-1-3-10(4-2-8)13(15,16)17/h1-7,12,20H,18H2.
What are the key properties of [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 301.70 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105252881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).