6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine

C12H8F4N2O — CID 102746921

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H8F4N2O/c13-10-3-2-8(5-9(10)12(14,15)16)19-11-4-1-7(17)6-18-11/h1-6H,17H2
InChIKeyCHQFRGZOKPKHPR-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.61
Rot. Bonds2

About 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine

6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine (PubChem CID 102746921) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
PubChem CID102746921
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C12H8F4N2O/c13-10-3-2-8(5-9(10)12(14,15)16)19-11-4-1-7(17)6-18-11/h1-6H,17H2
InChIKeyCHQFRGZOKPKHPR-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methylsulfanylpyrimidine
CID 67661500
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 61389468
6-[[2-[2,4-bis(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridin-3-amine
CID 142666093
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine
CID 139794421

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine (CID 102746921) is 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine is Nc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
The InChIKey is CHQFRGZOKPKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c13-10-3-2-8(5-9(10)12(14,15)16)19-11-4-1-7(17)6-18-11/h1-6H,17H2.
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine?
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine has a molecular weight of 272.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 102746921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).