3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C8H8BrF3N2 — CID 61374673

IUPAC3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCN(CC(F)(F)F)c1ncccc1Br
InChIInChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-6(9)3-2-4-13-7/h2-4H,5H2,1H3
InChIKeyAXMNVEMFNPLHTO-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.84
Rot. Bonds2

About 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 61374673) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID61374673
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCN(CC(F)(F)F)c1ncccc1Br
InChIInChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-6(9)3-2-4-13-7/h2-4H,5H2,1H3
InChIKeyAXMNVEMFNPLHTO-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 61374673) is 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CN(CC(F)(F)F)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is AXMNVEMFNPLHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-6(9)3-2-4-13-7/h2-4H,5H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 269.06 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 61374673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).