6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine

C13H14F3N5O2 — CID 126679870

IUPAC6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)23-8-3-1-2-7(4-8)6-22-9-5-10(17)20-12(21-19)11(9)18/h1-5H,6,18-19H2,(H3,17,20,21)
InChIKeyVGWKTEOHIHVNTH-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.01
Rot. Bonds5

About 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine

6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine (PubChem CID 126679870) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine
PubChem CID126679870
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Name6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)23-8-3-1-2-7(4-8)6-22-9-5-10(17)20-12(21-19)11(9)18/h1-5H,6,18-19H2,(H3,17,20,21)
InChIKeyVGWKTEOHIHVNTH-UHFFFAOYSA-N
XLogP2.01
TPSA121.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Hydrazino-6-(4-trifluoromethylphenoxy)pyridine
CID 18544786
6-[3-(Trifluoromethyl)phenoxy]pyridine-2,3-diamine
CID 69724986
7-[[3-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648914
7-[[5-(difluoromethoxy)-2-fluorophenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649034
7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649139
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
7-[[4-(difluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678796
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

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine?
The IUPAC name of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine (CID 126679870) is 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine is NNc1nc(N)cc(OCc2cccc(OC(F)(F)F)c2)c1N.
What is the InChIKey of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine?
The InChIKey is VGWKTEOHIHVNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c14-13(15,16)23-8-3-1-2-7(4-8)6-22-9-5-10(17)20-12(21-19)11(9)18/h1-5H,6,18-19H2,(H3,17,20,21).
What are the key properties of 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine?
6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine has a molecular weight of 329.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]pyridine-2,5-diamine is sourced from PubChem (CID 126679870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).