6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine

C11H7BrF2N2O — CID 146309554

IUPAC6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine
SMILESNc1ccc(Oc2ccc(F)cc2F)c(Br)n1
InChIInChI=1S/C11H7BrF2N2O/c12-11-9(3-4-10(15)16-11)17-8-2-1-6(13)5-7(8)14/h1-5H,(H2,15,16)
InChIKeyWRAQBBWEYZPWEL-UHFFFAOYSA-N
MW301.09 g/mol
LogP3.50
Rot. Bonds2

About 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine

6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine (PubChem CID 146309554) has the molecular formula C11H7BrF2N2O and a molecular weight of 301.09 g/mol. Its IUPAC name is 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine
PubChem CID146309554
Molecular FormulaC11H7BrF2N2O
Molecular Weight301.09 g/mol
Exact Mass299.97
IUPAC Name6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine
SMILESNc1ccc(Oc2ccc(F)cc2F)c(Br)n1
InChIInChI=1S/C11H7BrF2N2O/c12-11-9(3-4-10(15)16-11)17-8-2-1-6(13)5-7(8)14/h1-5H,(H2,15,16)
InChIKeyWRAQBBWEYZPWEL-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 53.50
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 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine?
The IUPAC name of 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine (CID 146309554) is 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine?
The canonical SMILES for 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine is Nc1ccc(Oc2ccc(F)cc2F)c(Br)n1.
What is the InChIKey of 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine?
The InChIKey is WRAQBBWEYZPWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O/c12-11-9(3-4-10(15)16-11)17-8-2-1-6(13)5-7(8)14/h1-5H,(H2,15,16).
What are the key properties of 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine?
6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine has a molecular weight of 301.09 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(2,4-difluorophenoxy)pyridin-2-amine is sourced from PubChem (CID 146309554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).