4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine

C13H10BrF3N2O2 — CID 102715111

IUPAC4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
SMILESCNc1cc(Oc2ccc(OC(F)(F)F)c(Br)c2)ccn1
InChIInChI=1S/C13H10BrF3N2O2/c1-18-12-7-9(4-5-19-12)20-8-2-3-11(10(14)6-8)21-13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyJROMDWRQKKMKIO-UHFFFAOYSA-N
MW363.13 g/mol
LogP4.58
Rot. Bonds4

About 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine

4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine (PubChem CID 102715111) has the molecular formula C13H10BrF3N2O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
PubChem CID102715111
Molecular FormulaC13H10BrF3N2O2
Molecular Weight363.13 g/mol
Exact Mass361.99
IUPAC Name4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
SMILESCNc1cc(Oc2ccc(OC(F)(F)F)c(Br)c2)ccn1
InChIInChI=1S/C13H10BrF3N2O2/c1-18-12-7-9(4-5-19-12)20-8-2-3-11(10(14)6-8)21-13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyJROMDWRQKKMKIO-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
CID 102714035
4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
CID 113368098
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine
CID 107336923
[2-(methylamino)-4-pyridinyl]oxyboronic acid
CID 169224156
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
CID 113368109
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine?
The IUPAC name of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine (CID 102715111) is 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine is CNc1cc(Oc2ccc(OC(F)(F)F)c(Br)c2)ccn1.
What is the InChIKey of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine?
The InChIKey is JROMDWRQKKMKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2/c1-18-12-7-9(4-5-19-12)20-8-2-3-11(10(14)6-8)21-13(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine?
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine has a molecular weight of 363.13 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine is sourced from PubChem (CID 102715111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).