6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine

C8H7BrF4N2 — CID 106293353

IUPAC6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
SMILESFC(F)C(F)(F)CNc1cccc(Br)n1
InChIInChI=1S/C8H7BrF4N2/c9-5-2-1-3-6(15-5)14-4-8(12,13)7(10)11/h1-3,7H,4H2,(H,14,15)
InChIKeyOHFGLIXEALQVPC-UHFFFAOYSA-N
MW287.05 g/mol
LogP3.16
Rot. Bonds4

About 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine

6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine (PubChem CID 106293353) has the molecular formula C8H7BrF4N2 and a molecular weight of 287.05 g/mol. Its IUPAC name is 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
PubChem CID106293353
Molecular FormulaC8H7BrF4N2
Molecular Weight287.05 g/mol
Exact Mass285.97
IUPAC Name6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
SMILESFC(F)C(F)(F)CNc1cccc(Br)n1
InChIInChI=1S/C8H7BrF4N2/c9-5-2-1-3-6(15-5)14-4-8(12,13)7(10)11/h1-3,7H,4H2,(H,14,15)
InChIKeyOHFGLIXEALQVPC-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine (CID 106293353) is 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine is FC(F)C(F)(F)CNc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The InChIKey is OHFGLIXEALQVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF4N2/c9-5-2-1-3-6(15-5)14-4-8(12,13)7(10)11/h1-3,7H,4H2,(H,14,15).
What are the key properties of 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine has a molecular weight of 287.05 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine is sourced from PubChem (CID 106293353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).