4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine

C13H10BrF3N2O2 — CID 106748562

IUPAC4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ncc2N)c(Br)c1
InChIInChI=1S/C13H10BrF3N2O2/c1-20-7-2-3-10(8(14)4-7)21-11-5-12(13(15,16)17)19-6-9(11)18/h2-6H,18H2,1H3
InChIKeyJZBJOAKAYVEKCO-UHFFFAOYSA-N
MW363.13 g/mol
LogP4.25
Rot. Bonds3

About 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine

4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748562) has the molecular formula C13H10BrF3N2O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748562
Molecular FormulaC13H10BrF3N2O2
Molecular Weight363.13 g/mol
Exact Mass361.99
IUPAC Name4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ncc2N)c(Br)c1
InChIInChI=1S/C13H10BrF3N2O2/c1-20-7-2-3-10(8(14)4-7)21-11-5-12(13(15,16)17)19-6-9(11)18/h2-6H,18H2,1H3
InChIKeyJZBJOAKAYVEKCO-UHFFFAOYSA-N
XLogP4.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 107655360
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
4-(2-iodophenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748404
6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 106748387
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
CID 104707642
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
4-N-(5-bromo-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747494
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine (CID 106748562) is 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine is COc1ccc(Oc2cc(C(F)(F)F)ncc2N)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is JZBJOAKAYVEKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O2/c1-20-7-2-3-10(8(14)4-7)21-11-5-12(13(15,16)17)19-6-9(11)18/h2-6H,18H2,1H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine?
4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 363.13 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).