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

C13H12F3N3O2 — CID 126648938

IUPAC4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)cc(N)n1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)21-10-4-2-1-3-8(10)7-20-9-5-11(17)19-12(18)6-9/h1-6H,7H2,(H4,17,18,19)
InChIKeyOXWQKDAWUUSPFV-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.72
Rot. Bonds4

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

4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine (PubChem CID 126648938) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
PubChem CID126648938
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine
SMILESNc1cc(OCc2ccccc2OC(F)(F)F)cc(N)n1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)21-10-4-2-1-3-8(10)7-20-9-5-11(17)19-12(18)6-9/h1-6H,7H2,(H4,17,18,19)
InChIKeyOXWQKDAWUUSPFV-UHFFFAOYSA-N
XLogP2.72
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-Dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 166631199
2-Amino-6-benzyloxypyridine
CID 49875319
2-[6-(2-Methoxyphenyl)-2-pyridinyl]guanidine
CID 145955683
4-[2-(3-Aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine
CID 126751961
6-(4-Fluorophenoxy)-2-pyridinylamine
CID 1042720
4-(Benzyloxy)pyridin-2-amine
CID 520084
6-(2,3,5,6-Tetrafluoro-4-vinylphenyloxy) pyridine-2,4diamine
CID 172914408
4-Phenoxypyridine-2,6-diamine
CID 349576
Agn-PC-0nhor0
CID 12069799
3-[(E)-2-methoxyethenyl]-6-(4-phenylmethoxybutoxy)pyridin-2-amine
CID 69358862
6-Ethoxy-4-(trifluoromethyl)pyridin-2-amine
CID 14933766
5-(2-Fluoro-6-isopropoxyphenyl)pyridin-2-amine
CID 50976565

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The IUPAC name of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine (CID 126648938) is 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine.
What is the SMILES notation for 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The canonical SMILES for 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine is Nc1cc(OCc2ccccc2OC(F)(F)F)cc(N)n1.
What is the InChIKey of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
The InChIKey is OXWQKDAWUUSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)21-10-4-2-1-3-8(10)7-20-9-5-11(17)19-12(18)6-9/h1-6H,7H2,(H4,17,18,19).
What are the key properties of 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine?
4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine has a molecular weight of 299.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethoxy)phenyl]methoxy]pyridine-2,6-diamine is sourced from PubChem (CID 126648938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).