4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine

C13H13F3N4O2 — CID 126678863

IUPAC4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)c(N)c(N)n1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)22-8-4-2-1-3-7(8)6-21-9-5-10(17)20-12(19)11(9)18/h1-5H,6,18H2,(H4,17,19,20)
InChIKeyFYRMYBQEUXWUDO-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.31
Rot. Bonds4

About 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine

4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine (PubChem CID 126678863) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine
PubChem CID126678863
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)c(N)c(N)n1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)22-8-4-2-1-3-7(8)6-21-9-5-10(17)20-12(19)11(9)18/h1-5H,6,18H2,(H4,17,19,20)
InChIKeyFYRMYBQEUXWUDO-UHFFFAOYSA-N
XLogP2.31
TPSA109.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-Phenylmethoxyphenyl)diazenyl]pyridine-2,6-diamine
CID 178302486
6-(2,3,5,6-Tetrafluoro-4-vinylphenyloxy) pyridine-2,4diamine
CID 172914408
Agn-PC-0nhor0
CID 12069799
N-[(1S)-1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-6-morpholin-4-ylpyridin-3-amine
CID 171359963
2-Amino-3-(2,6-difluorobenzyloxy)-6-methylpyridine
CID 20077021
6-Phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine
CID 23063783
3-(5-Fluoro-2-propoxyphenyl)-pyridine-2,6-diamine
CID 57582324
3-[5-Fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine
CID 57582344
6-(2-Methoxy-4-trifluoromethoxy-phenyl)-5-methyl-pyridine-2,3-diamine
CID 59650856
4-[(4-Methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
CID 67400984
3-[4-Fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine
CID 68778196
6-(4-Trifluoromethyl-phenoxymethyl)-pyridin-2-ylamine
CID 68842874

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine?
The IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine (CID 126678863) is 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine is Nc1cc(OCc2ccccc2OC(F)(F)F)c(N)c(N)n1.
What is the InChIKey of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine?
The InChIKey is FYRMYBQEUXWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c14-13(15,16)22-8-4-2-1-3-7(8)6-21-9-5-10(17)20-12(19)11(9)18/h1-5H,6,18H2,(H4,17,19,20).
What are the key properties of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine?
4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine has a molecular weight of 314.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,3,6-triamine is sourced from PubChem (CID 126678863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).