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

C12H14BrF3N2O — CID 106796021

IUPAC5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCC1CCCOC1
InChIInChI=1S/C12H14BrF3N2O/c13-9-4-10(12(14,15)16)11(18-6-9)17-5-8-2-1-3-19-7-8/h4,6,8H,1-3,5,7H2,(H,17,18)
InChIKeyLCVLWGKOZDAOLV-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.70
Rot. Bonds3

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

5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796021) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796021
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC Name5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCC1CCCOC1
InChIInChI=1S/C12H14BrF3N2O/c13-9-4-10(12(14,15)16)11(18-6-9)17-5-8-2-1-3-19-7-8/h4,6,8H,1-3,5,7H2,(H,17,18)
InChIKeyLCVLWGKOZDAOLV-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795986
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106795988
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796021) is 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCC1CCCOC1.
What is the InChIKey of 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LCVLWGKOZDAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c13-9-4-10(12(14,15)16)11(18-6-9)17-5-8-2-1-3-19-7-8/h4,6,8H,1-3,5,7H2,(H,17,18).
What are the key properties of 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 339.16 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).