3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine

C19H15ClF3N5O2 — CID 126648870

IUPAC3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H15ClF3N5O2/c20-12-5-7-13(8-6-12)27-28-17-15(9-16(24)26-18(17)25)29-10-11-3-1-2-4-14(11)30-19(21,22)23/h1-9H,10H2,(H4,24,25,26)/b28-27+
InChIKeyDNYCPMLJMVEOPT-BYYHNAKLSA-N
MW437.81 g/mol
LogP5.79
Rot. Bonds6

About 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine

3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine (PubChem CID 126648870) has the molecular formula C19H15ClF3N5O2 and a molecular weight of 437.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
PubChem CID126648870
Molecular FormulaC19H15ClF3N5O2
Molecular Weight437.81 g/mol
Exact Mass437.09
IUPAC Name3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H15ClF3N5O2/c20-12-5-7-13(8-6-12)27-28-17-15(9-16(24)26-18(17)25)29-10-11-3-1-2-4-14(11)30-19(21,22)23/h1-9H,10H2,(H4,24,25,26)/b28-27+
InChIKeyDNYCPMLJMVEOPT-BYYHNAKLSA-N
XLogP5.79
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.81
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-(2,3-diaminopyridin-4-yl)oxy-3-methylphenyl]urea
CID 57974527
3-[(4-Chlorophenyl)diazenyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
CID 126649083
6-Hydrazinyl-4-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678773
4-[[5-(3-Fluorophenyl)-2-methoxyphenyl]methoxy]pyridine-2,3,6-triamine
CID 126678849
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-(Trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine
CID 126678863
4-[(2-Chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678882
4-[[2-Chloro-6-(trifluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679818
4-[[2-Chloro-5-(trifluoromethyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126679932
3-[2-(4-Chlorophenyl)hydrazinyl]-4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,6-diamine
CID 126679958
4-(2,2,2-Trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine
CID 126679963

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine (CID 126648870) is 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine.
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine is Nc1cc(OCc2ccccc2OC(F)(F)F)c(/N=N/c2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The InChIKey is DNYCPMLJMVEOPT-BYYHNAKLSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2/c20-12-5-7-13(8-6-12)27-28-17-15(9-16(24)26-18(17)25)29-10-11-3-1-2-4-14(11)30-19(21,22)23/h1-9H,10H2,(H4,24,25,26)/b28-27+.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine has a molecular weight of 437.81 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine is sourced from PubChem (CID 126648870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).