2-bromo-6-(difluoromethoxy)pyridin-3-amine

C6H5BrF2N2O — CID 86652216

IUPAC2-bromo-6-(difluoromethoxy)pyridin-3-amine
SMILESNc1ccc(OC(F)F)nc1Br
InChIInChI=1S/C6H5BrF2N2O/c7-5-3(10)1-2-4(11-5)12-6(8)9/h1-2,6H,10H2
InChIKeyHHZGWUXINZLBMR-UHFFFAOYSA-N
MW239.02 g/mol
LogP2.03
Rot. Bonds2

About 2-bromo-6-(difluoromethoxy)pyridin-3-amine

2-bromo-6-(difluoromethoxy)pyridin-3-amine (PubChem CID 86652216) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-6-(difluoromethoxy)pyridin-3-amine
PubChem CID86652216
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name2-bromo-6-(difluoromethoxy)pyridin-3-amine
SMILESNc1ccc(OC(F)F)nc1Br
InChIInChI=1S/C6H5BrF2N2O/c7-5-3(10)1-2-4(11-5)12-6(8)9/h1-2,6H,10H2
InChIKeyHHZGWUXINZLBMR-UHFFFAOYSA-N
XLogP2.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.02
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethoxy)pyridin-3-amine?
The IUPAC name of 2-bromo-6-(difluoromethoxy)pyridin-3-amine (CID 86652216) is 2-bromo-6-(difluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 2-bromo-6-(difluoromethoxy)pyridin-3-amine?
The canonical SMILES for 2-bromo-6-(difluoromethoxy)pyridin-3-amine is Nc1ccc(OC(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(difluoromethoxy)pyridin-3-amine?
The InChIKey is HHZGWUXINZLBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-5-3(10)1-2-4(11-5)12-6(8)9/h1-2,6H,10H2.
What are the key properties of 2-bromo-6-(difluoromethoxy)pyridin-3-amine?
2-bromo-6-(difluoromethoxy)pyridin-3-amine has a molecular weight of 239.02 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 86652216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).