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

C8H6BrF5N2 — CID 119002293

IUPAC6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(CBr)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF5N2/c9-2-5-3(6(10)11)1-4(7(15)16-5)8(12,13)14/h1,6H,2H2,(H2,15,16)
InChIKeyXXOZBCDXYZXGBL-UHFFFAOYSA-N
MW305.04 g/mol
LogP3.52
Rot. Bonds2

About 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine

6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 119002293) has the molecular formula C8H6BrF5N2 and a molecular weight of 305.04 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID119002293
Molecular FormulaC8H6BrF5N2
Molecular Weight305.04 g/mol
Exact Mass303.96
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(CBr)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF5N2/c9-2-5-3(6(10)11)1-4(7(15)16-5)8(12,13)14/h1,6H,2H2,(H2,15,16)
InChIKeyXXOZBCDXYZXGBL-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.04
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 118808682

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 119002293) is 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine is Nc1nc(CBr)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XXOZBCDXYZXGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2/c9-2-5-3(6(10)11)1-4(7(15)16-5)8(12,13)14/h1,6H,2H2,(H2,15,16).
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 305.04 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119002293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).