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

C13H11F3IN3 — CID 102710449

IUPAC[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1ccccc1I)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H11F3IN3/c14-13(15,16)10-5-6-19-7-9(10)12(20-18)8-3-1-2-4-11(8)17/h1-7,12,20H,18H2
InChIKeyVRHOYKOWIQGGPP-UHFFFAOYSA-N
MW393.15 g/mol
LogP3.26
Rot. Bonds3

About [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710449) has the molecular formula C13H11F3IN3 and a molecular weight of 393.15 g/mol. Its IUPAC name is [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710449
Molecular FormulaC13H11F3IN3
Molecular Weight393.15 g/mol
Exact Mass392.99
IUPAC Name[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1ccccc1I)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H11F3IN3/c14-13(15,16)10-5-6-19-7-9(10)12(20-18)8-3-1-2-4-11(8)17/h1-7,12,20H,18H2
InChIKeyVRHOYKOWIQGGPP-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-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304839
[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710482
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-iodophenyl)methyl]hydrazine
CID 107292549
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
[(3-fluoro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710396
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710376
3-[(2-aminophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105223806
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710504

Frequently Asked Questions

What is the IUPAC name of [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710449) is [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is NNC(c1ccccc1I)c1cnccc1C(F)(F)F.
What is the InChIKey of [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is VRHOYKOWIQGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3IN3/c14-13(15,16)10-5-6-19-7-9(10)12(20-18)8-3-1-2-4-11(8)17/h1-7,12,20H,18H2.
What are the key properties of [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(2-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 [(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).