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

C13H11ClF3N3 — CID 105304839

IUPAC[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccncc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3/c14-11-7-19-6-5-9(11)12(20-18)8-3-1-2-4-10(8)13(15,16)17/h1-7,12,20H,18H2
InChIKeyKKUYPJQZZLDQTH-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.31
Rot. Bonds3

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

[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105304839) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105304839
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC Name[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccncc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3/c14-11-7-19-6-5-9(11)12(20-18)8-3-1-2-4-10(8)13(15,16)17/h1-7,12,20H,18H2
InChIKeyKKUYPJQZZLDQTH-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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-chloro-4-pyridinyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285750
[2-(3-chloro-4-pyridinyl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105314802
[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710449
[(3-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103445745
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710376
[(3-chloro-4-pyridinyl)-(2-cyclobutylphenyl)methyl]hydrazine
CID 105341397
[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787398
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
[(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105217891
[[4-bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methyl]hydrazine
CID 105212774

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105304839) is [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1ccncc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is KKUYPJQZZLDQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c14-11-7-19-6-5-9(11)12(20-18)8-3-1-2-4-10(8)13(15,16)17/h1-7,12,20H,18H2.
What are the key properties of [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine?
[(3-chloro-4-pyridinyl)-[2-(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 [(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105304839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).