[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C14H13ClF3N3 — CID 102710504

IUPAC[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCc1cc(Cl)cc(C(NN)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C14H13ClF3N3/c1-8-4-9(6-10(15)5-8)13(21-19)11-7-20-3-2-12(11)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeySPRHFPJMDMAUJW-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.61
Rot. Bonds3

About [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710504) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710504
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCc1cc(Cl)cc(C(NN)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C14H13ClF3N3/c1-8-4-9(6-10(15)5-8)13(21-19)11-7-20-3-2-12(11)14(16,17)18/h2-7,13,21H,19H2,1H3
InChIKeySPRHFPJMDMAUJW-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.61
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-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710396
[(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710395
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710376
N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710482
[(3-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320502
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
[(2-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710449

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710504) is [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is Cc1cc(Cl)cc(C(NN)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is SPRHFPJMDMAUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-8-4-9(6-10(15)5-8)13(21-19)11-7-20-3-2-12(11)14(16,17)18/h2-7,13,21H,19H2,1H3.
What are the key properties of [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 315.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).