4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine

C7H6BrF3N2 — CID 118703946

IUPAC4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(CBr)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6BrF3N2/c8-3-4-1-5(7(9,10)11)13-6(12)2-4/h1-2H,3H2,(H2,12,13)
InChIKeyNDUOSAYVYYXGBT-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.58
Rot. Bonds1

About 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine

4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 118703946) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID118703946
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(CBr)cc(C(F)(F)F)n1
InChIInChI=1S/C7H6BrF3N2/c8-3-4-1-5(7(9,10)11)13-6(12)2-4/h1-2H,3H2,(H2,12,13)
InChIKeyNDUOSAYVYYXGBT-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-6-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 118703946) is 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine is Nc1cc(CBr)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NDUOSAYVYYXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-3-4-1-5(7(9,10)11)13-6(12)2-4/h1-2H,3H2,(H2,12,13).
What are the key properties of 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine?
4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 255.04 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).