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

C19H15ClF3N5O — CID 126649083

IUPAC3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
SMILESNc1cc(OC(c2ccccc2)C(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H15ClF3N5O/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/h1-10,17H,(H4,24,25,26)/b28-27+
InChIKeyUUPPPCXNXWENNM-BYYHNAKLSA-N
MW421.81 g/mol
LogP6.00
Rot. Bonds5

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

3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine (PubChem CID 126649083) has the molecular formula C19H15ClF3N5O and a molecular weight of 421.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
PubChem CID126649083
Molecular FormulaC19H15ClF3N5O
Molecular Weight421.81 g/mol
Exact Mass421.09
IUPAC Name3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
SMILESNc1cc(OC(c2ccccc2)C(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H15ClF3N5O/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/h1-10,17H,(H4,24,25,26)/b28-27+
InChIKeyUUPPPCXNXWENNM-BYYHNAKLSA-N
XLogP6.00
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.81
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(4-Chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
CID 126648870
4-[(2,6-Difluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678665
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-(Trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine
CID 126678863
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-[(2,3-Difluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678944
4-[[2-Chloro-6-(trifluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679818
4-[[2-Fluoro-3-(3-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679894
7-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679930
4-[[2-Chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679932

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine (CID 126649083) is 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine is Nc1cc(OC(c2ccccc2)C(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
The InChIKey is UUPPPCXNXWENNM-BYYHNAKLSA-N. The full InChI is InChI=1S/C19H15ClF3N5O/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/h1-10,17H,(H4,24,25,26)/b28-27+.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine?
3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine has a molecular weight of 421.81 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine is sourced from PubChem (CID 126649083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).