5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C10H12BrF3N2 — CID 107080687

IUPAC5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)CC(F)(F)F
InChIInChI=1S/C10H12BrF3N2/c1-7-3-8(4-11)5-15-9(7)16(2)6-10(12,13)14/h3,5H,4,6H2,1-2H3
InChIKeyXRODRBMBICJUII-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.28
Rot. Bonds3

About 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 107080687) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID107080687
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)CC(F)(F)F
InChIInChI=1S/C10H12BrF3N2/c1-7-3-8(4-11)5-15-9(7)16(2)6-10(12,13)14/h3,5H,4,6H2,1-2H3
InChIKeyXRODRBMBICJUII-UHFFFAOYSA-N
XLogP3.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 107084972
5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107080224
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
[5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]methanol
CID 61254991
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
5-(bromomethyl)-N,3-dimethyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 107082051

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 107080687) is 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is Cc1cc(CBr)cnc1N(C)CC(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is XRODRBMBICJUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c1-7-3-8(4-11)5-15-9(7)16(2)6-10(12,13)14/h3,5H,4,6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 297.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 107080687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).