5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H12BrF3N2O — CID 106795986

IUPAC5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCOCC1
InChIInChI=1S/C11H12BrF3N2O/c12-7-5-9(11(13,14)15)10(16-6-7)17-8-1-3-18-4-2-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyHNRYLPIRBNYGSR-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795986) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795986
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC Name5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCOCC1
InChIInChI=1S/C11H12BrF3N2O/c12-7-5-9(11(13,14)15)10(16-6-7)17-8-1-3-18-4-2-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyHNRYLPIRBNYGSR-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 106795986) is 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NC1CCOCC1.
What is the InChIKey of 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HNRYLPIRBNYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c12-7-5-9(11(13,14)15)10(16-6-7)17-8-1-3-18-4-2-8/h5-6,8H,1-4H2,(H,16,17).
What are the key properties of 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 325.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).