2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine

C8H5BrF6N2O — CID 71428042

IUPAC2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine
SMILESNc1ccc(OC(C(F)(F)F)C(F)(F)F)nc1Br
InChIInChI=1S/C8H5BrF6N2O/c9-5-3(16)1-2-4(17-5)18-6(7(10,11)12)8(13,14)15/h1-2,6H,16H2
InChIKeyNCWWZHNTXZMGBE-UHFFFAOYSA-N
MW339.03 g/mol
LogP3.30
Rot. Bonds2

About 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine

2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine (PubChem CID 71428042) has the molecular formula C8H5BrF6N2O and a molecular weight of 339.03 g/mol. Its IUPAC name is 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine
PubChem CID71428042
Molecular FormulaC8H5BrF6N2O
Molecular Weight339.03 g/mol
Exact Mass337.95
IUPAC Name2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine
SMILESNc1ccc(OC(C(F)(F)F)C(F)(F)F)nc1Br
InChIInChI=1S/C8H5BrF6N2O/c9-5-3(16)1-2-4(17-5)18-6(7(10,11)12)8(13,14)15/h1-2,6H,16H2
InChIKeyNCWWZHNTXZMGBE-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine?
The IUPAC name of 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine (CID 71428042) is 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine.
What is the SMILES notation for 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine?
The canonical SMILES for 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine is Nc1ccc(OC(C(F)(F)F)C(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine?
The InChIKey is NCWWZHNTXZMGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF6N2O/c9-5-3(16)1-2-4(17-5)18-6(7(10,11)12)8(13,14)15/h1-2,6H,16H2.
What are the key properties of 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine?
2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine has a molecular weight of 339.03 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridin-3-amine is sourced from PubChem (CID 71428042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).