3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine

C19H17ClF3N5O — CID 126679958

IUPAC3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
SMILESNc1cc(OC(c2ccccc2)C(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H17ClF3N5O/c20-12-6-8-13(9-7-12)27-28-16-14(10-15(24)26-18(16)25)29-17(19(21,22)23)11-4-2-1-3-5-11/h1-10,17,27-28H,(H4,24,25,26)
InChIKeyTUOYLJZQFDGFHE-UHFFFAOYSA-N
MW423.83 g/mol
LogP5.02
Rot. Bonds6

About 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine

3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine (PubChem CID 126679958) has the molecular formula C19H17ClF3N5O and a molecular weight of 423.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
PubChem CID126679958
Molecular FormulaC19H17ClF3N5O
Molecular Weight423.83 g/mol
Exact Mass423.11
IUPAC Name3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
SMILESNc1cc(OC(c2ccccc2)C(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H17ClF3N5O/c20-12-6-8-13(9-7-12)27-28-16-14(10-15(24)26-18(16)25)29-17(19(21,22)23)11-4-2-1-3-5-11/h1-10,17,27-28H,(H4,24,25,26)
InChIKeyTUOYLJZQFDGFHE-UHFFFAOYSA-N
XLogP5.02
TPSA98.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-Chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126648870
3-[(4-Chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
CID 126649083
4-[(2,6-Difluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678665
6-Hydrazinyl-4-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678773
4-[[4-(Difluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678797
4-[[3-(3-Fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678820
4-[2,2-Difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678850
3-[2-(4-Chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126678859
4-[[2-Fluoro-5-(3-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678862
4-[(2-Chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678882
7-[(2-chloro-6-fluorophenyl)methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678884
4-[[5-(3-Fluorophenyl)-2-methylphenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678926

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
The IUPAC name of 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine (CID 126679958) is 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
The canonical SMILES for 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine is Nc1cc(OC(c2ccccc2)C(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
The InChIKey is TUOYLJZQFDGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O/c20-12-6-8-13(9-7-12)27-28-16-14(10-15(24)26-18(16)25)29-17(19(21,22)23)11-4-2-1-3-5-11/h1-10,17,27-28H,(H4,24,25,26).
What are the key properties of 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine has a molecular weight of 423.83 g/mol, XLogP of 5.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine is sourced from PubChem (CID 126679958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).