6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine

C12H10BrFN2O — CID 83234987

IUPAC6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H10BrFN2O/c13-10-6-9(4-5-11(10)14)17-7-8-2-1-3-12(15)16-8/h1-6H,7H2,(H2,15,16)
InChIKeyVBEUEMUEQVLGTE-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.14
Rot. Bonds3

About 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine

6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine (PubChem CID 83234987) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
PubChem CID83234987
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H10BrFN2O/c13-10-6-9(4-5-11(10)14)17-7-8-2-1-3-12(15)16-8/h1-6H,7H2,(H2,15,16)
InChIKeyVBEUEMUEQVLGTE-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-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 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine (CID 83234987) is 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine is Nc1cccc(COc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is VBEUEMUEQVLGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-10-6-9(4-5-11(10)14)17-7-8-2-1-3-12(15)16-8/h1-6H,7H2,(H2,15,16).
What are the key properties of 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine?
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine has a molecular weight of 297.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 83234987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).