4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine

C8H6BrF5N2O — CID 119018569

IUPAC4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(OC(F)(F)F)cc(CBr)c1C(F)F
InChIInChI=1S/C8H6BrF5N2O/c9-2-3-1-4(17-8(12,13)14)16-7(15)5(3)6(10)11/h1,6H,2H2,(H2,15,16)
InChIKeyAGPHETYHUISZHH-UHFFFAOYSA-N
MW321.04 g/mol
LogP3.39
Rot. Bonds3

About 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine

4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119018569) has the molecular formula C8H6BrF5N2O and a molecular weight of 321.04 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
PubChem CID119018569
Molecular FormulaC8H6BrF5N2O
Molecular Weight321.04 g/mol
Exact Mass319.96
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(OC(F)(F)F)cc(CBr)c1C(F)F
InChIInChI=1S/C8H6BrF5N2O/c9-2-3-1-4(17-8(12,13)14)16-7(15)5(3)6(10)11/h1,6H,2H2,(H2,15,16)
InChIKeyAGPHETYHUISZHH-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.04
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
ethyl 2-[4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134673151
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine (CID 119018569) is 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine is Nc1nc(OC(F)(F)F)cc(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is AGPHETYHUISZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2O/c9-2-3-1-4(17-8(12,13)14)16-7(15)5(3)6(10)11/h1,6H,2H2,(H2,15,16).
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine?
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 321.04 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119018569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).