2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C24H19ClF3N5 — CID 143380298

IUPAC2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCN(Cc1ccc(C(F)(F)F)nc1)Nc1nccc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C24H19ClF3N5/c1-33(15-16-2-7-21(31-14-16)24(26,27)28)32-23-22(18-8-11-29-12-9-18)20(10-13-30-23)17-3-5-19(25)6-4-17/h2-14H,15H2,1H3,(H,30,32)
InChIKeyKESNSCHCGKFFSD-UHFFFAOYSA-N
MW469.90 g/mol
LogP6.34
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 143380298) has the molecular formula C24H19ClF3N5 and a molecular weight of 469.90 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID143380298
Molecular FormulaC24H19ClF3N5
Molecular Weight469.90 g/mol
Exact Mass469.13
IUPAC Name2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESCN(Cc1ccc(C(F)(F)F)nc1)Nc1nccc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C24H19ClF3N5/c1-33(15-16-2-7-21(31-14-16)24(26,27)28)32-23-22(18-8-11-29-12-9-18)20(10-13-30-23)17-3-5-19(25)6-4-17/h2-14H,15H2,1H3,(H,30,32)
InChIKeyKESNSCHCGKFFSD-UHFFFAOYSA-N
XLogP6.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.90
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 143380298) is 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is CN(Cc1ccc(C(F)(F)F)nc1)Nc1nccc(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is KESNSCHCGKFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5/c1-33(15-16-2-7-21(31-14-16)24(26,27)28)32-23-22(18-8-11-29-12-9-18)20(10-13-30-23)17-3-5-19(25)6-4-17/h2-14H,15H2,1H3,(H,30,32).
What are the key properties of 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 469.90 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3-pyridin-4-yl-2-pyridinyl]-1-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 143380298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).