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

C19H17ClF3N5O2 — CID 126678859

IUPAC3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H17ClF3N5O2/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/h1-9,27-28H,10H2,(H4,24,25,26)
InChIKeyLBRJLCXNYWZKOJ-UHFFFAOYSA-N
MW439.83 g/mol
LogP4.82
Rot. Bonds7

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

3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine (PubChem CID 126678859) has the molecular formula C19H17ClF3N5O2 and a molecular weight of 439.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
PubChem CID126678859
Molecular FormulaC19H17ClF3N5O2
Molecular Weight439.83 g/mol
Exact Mass439.10
IUPAC Name3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C19H17ClF3N5O2/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/h1-9,27-28H,10H2,(H4,24,25,26)
InChIKeyLBRJLCXNYWZKOJ-UHFFFAOYSA-N
XLogP4.82
TPSA107.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine
CID 126678774
7-[[2-methoxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678778
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
6-Hydrazinyl-4-[[2-methoxy-5-(trifluoromethyl)phenyl]methoxy]pyridine-2,5-diamine
CID 126678829
4-[2,2-Difluoro-1-(2-methoxyphenyl)butoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678850
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The IUPAC name of 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine (CID 126678859) is 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The canonical SMILES for 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine is Nc1cc(OCc2ccccc2OC(F)(F)F)c(NNc2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The InChIKey is LBRJLCXNYWZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O2/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/h1-9,27-28H,10H2,(H4,24,25,26).
What are the key properties of 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine has a molecular weight of 439.83 g/mol, XLogP of 4.82, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)hydrazinyl]-4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine is sourced from PubChem (CID 126678859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).