3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine

C13H9BrF4N2O — CID 164562831

IUPAC3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOc1c(F)cccc1Nc1nc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H9BrF4N2O/c1-21-11-8(15)3-2-4-9(11)19-12-7(14)5-6-10(20-12)13(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyYKWRFEULHSMAEA-UHFFFAOYSA-N
MW365.12 g/mol
LogP4.75
Rot. Bonds3

About 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine

3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 164562831) has the molecular formula C13H9BrF4N2O and a molecular weight of 365.12 g/mol. Its IUPAC name is 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID164562831
Molecular FormulaC13H9BrF4N2O
Molecular Weight365.12 g/mol
Exact Mass363.98
IUPAC Name3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOc1c(F)cccc1Nc1nc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H9BrF4N2O/c1-21-11-8(15)3-2-4-9(11)19-12-7(14)5-6-10(20-12)13(16,17)18/h2-6H,1H3,(H,19,20)
InChIKeyYKWRFEULHSMAEA-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine (CID 164562831) is 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine is COc1c(F)cccc1Nc1nc(C(F)(F)F)ccc1Br.
What is the InChIKey of 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YKWRFEULHSMAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2O/c1-21-11-8(15)3-2-4-9(11)19-12-7(14)5-6-10(20-12)13(16,17)18/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine?
3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 365.12 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 164562831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).