6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine

C7H4BrF5N2 — CID 118995559

IUPAC6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(Br)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4BrF5N2/c8-3-1-2(5(9)10)4(6(14)15-3)7(11,12)13/h1,5H,(H2,14,15)
InChIKeyCGJHTMARFRBKGA-UHFFFAOYSA-N
MW291.02 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine

6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 118995559) has the molecular formula C7H4BrF5N2 and a molecular weight of 291.02 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID118995559
Molecular FormulaC7H4BrF5N2
Molecular Weight291.02 g/mol
Exact Mass289.95
IUPAC Name6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(Br)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H4BrF5N2/c8-3-1-2(5(9)10)4(6(14)15-3)7(11,12)13/h1,5H,(H2,14,15)
InChIKeyCGJHTMARFRBKGA-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.02
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 119019065
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
CID 130098542
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
CID 118999240
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 119021073
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118828825

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 118995559) is 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine is Nc1nc(Br)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CGJHTMARFRBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF5N2/c8-3-1-2(5(9)10)4(6(14)15-3)7(11,12)13/h1,5H,(H2,14,15).
What are the key properties of 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine?
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 291.02 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118995559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).