[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C13H11F3IN3 — CID 102710482

IUPAC[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cccc(I)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H11F3IN3/c14-13(15,16)11-4-5-19-7-10(11)12(20-18)8-2-1-3-9(17)6-8/h1-7,12,20H,18H2
InChIKeyXDCZCMPHGFIROP-UHFFFAOYSA-N
MW393.15 g/mol
LogP3.26
Rot. Bonds3

About [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710482) has the molecular formula C13H11F3IN3 and a molecular weight of 393.15 g/mol. Its IUPAC name is [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710482
Molecular FormulaC13H11F3IN3
Molecular Weight393.15 g/mol
Exact Mass392.99
IUPAC Name[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cccc(I)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H11F3IN3/c14-13(15,16)11-4-5-19-7-10(11)12(20-18)8-2-1-3-9(17)6-8/h1-7,12,20H,18H2
InChIKeyXDCZCMPHGFIROP-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710449
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710396
[(3-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308608
[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710504
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
[(3-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105193054
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710376
[(3-iodophenyl)-(2-methylphenyl)methyl]hydrazine
CID 105285986

Frequently Asked Questions

What is the IUPAC name of [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710482) is [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is NNC(c1cccc(I)c1)c1cnccc1C(F)(F)F.
What is the InChIKey of [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is XDCZCMPHGFIROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3IN3/c14-13(15,16)11-4-5-19-7-10(11)12(20-18)8-2-1-3-9(17)6-8/h1-7,12,20H,18H2.
What are the key properties of [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 393.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).