3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine

C8H8BrF3N2 — CID 104778120

IUPAC3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCN(CC(F)(F)F)c1ccncc1Br
InChIInChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-2-3-13-4-6(7)9/h2-4H,5H2,1H3
InChIKeyXMIQKLRGFXPABE-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.84
Rot. Bonds2

About 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine

3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine (PubChem CID 104778120) 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-4-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
PubChem CID104778120
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCN(CC(F)(F)F)c1ccncc1Br
InChIInChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-2-3-13-4-6(7)9/h2-4H,5H2,1H3
InChIKeyXMIQKLRGFXPABE-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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Related Compounds

3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine
CID 104778581
N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 115257828
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
3-bromo-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 82798160
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
CID 104778478
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 63874582
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257817
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine (CID 104778120) is 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine is CN(CC(F)(F)F)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The InChIKey is XMIQKLRGFXPABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-14(5-8(10,11)12)7-2-3-13-4-6(7)9/h2-4H,5H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-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-4-amine is sourced from PubChem (CID 104778120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).