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

C8H6BrF5N2O — CID 119009701

IUPAC6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(CBr)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6BrF5N2O/c9-2-3-1-4(17-8(12,13)14)5(6(10)11)7(15)16-3/h1,6H,2H2,(H2,15,16)
InChIKeyRSVTZRSAKINUKG-UHFFFAOYSA-N
MW321.04 g/mol
LogP3.39
Rot. Bonds3

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

6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119009701) has the molecular formula C8H6BrF5N2O and a molecular weight of 321.04 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
PubChem CID119009701
Molecular FormulaC8H6BrF5N2O
Molecular Weight321.04 g/mol
Exact Mass319.96
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
SMILESNc1nc(CBr)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6BrF5N2O/c9-2-3-1-4(17-8(12,13)14)5(6(10)11)7(15)16-3/h1,6H,2H2,(H2,15,16)
InChIKeyRSVTZRSAKINUKG-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

4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
2-[6-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682362
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680938
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119018182
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine (CID 119009701) is 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine is Nc1nc(CBr)cc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is RSVTZRSAKINUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF5N2O/c9-2-3-1-4(17-8(12,13)14)5(6(10)11)7(15)16-3/h1,6H,2H2,(H2,15,16).
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine?
6-(bromomethyl)-3-(difluoromethyl)-4-(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 6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119009701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).