5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine

C7H6BrF3N2 — CID 123704629

IUPAC5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(CBr)cc1C(F)(F)F
InChIInChI=1S/C7H6BrF3N2/c8-2-4-1-5(7(9,10)11)6(12)13-3-4/h1,3H,2H2,(H2,12,13)
InChIKeyWNLKSQJKIBCZKB-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.58
Rot. Bonds1

About 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine

5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 123704629) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID123704629
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(CBr)cc1C(F)(F)F
InChIInChI=1S/C7H6BrF3N2/c8-2-4-1-5(7(9,10)11)6(12)13-3-4/h1,3H,2H2,(H2,12,13)
InChIKeyWNLKSQJKIBCZKB-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 5-(bromomethyl)-3-(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

Related Compounds

5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459565
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
CID 134623558
4-(bromomethyl)-1-iodo-2-(trifluoromethyl)benzene
CID 98041510
5-(bromomethyl)-2-[4-methoxy-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyridine
CID 86634142
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 123704629) is 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(CBr)cc1C(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WNLKSQJKIBCZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-2-4-1-5(7(9,10)11)6(12)13-3-4/h1,3H,2H2,(H2,12,13).
What are the key properties of 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-(bromomethyl)-3-(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 5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123704629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).