2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine

C12H7BrCl2FNO — CID 55127312

IUPAC2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine
SMILESFc1cc(Br)ccc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl2FNO/c13-7-1-3-11(9(16)5-7)18-6-10-8(14)2-4-12(15)17-10/h1-5H,6H2
InChIKeyMASNQMCIKBBBFE-UHFFFAOYSA-N
MW351.00 g/mol
LogP4.87
Rot. Bonds3

About 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine

2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine (PubChem CID 55127312) has the molecular formula C12H7BrCl2FNO and a molecular weight of 351.00 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine
PubChem CID55127312
Molecular FormulaC12H7BrCl2FNO
Molecular Weight351.00 g/mol
Exact Mass348.91
IUPAC Name2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine
SMILESFc1cc(Br)ccc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H7BrCl2FNO/c13-7-1-3-11(9(16)5-7)18-6-10-8(14)2-4-12(15)17-10/h1-5H,6H2
InChIKeyMASNQMCIKBBBFE-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.00
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine?
The IUPAC name of 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine (CID 55127312) is 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine is Fc1cc(Br)ccc1OCc1nc(Cl)ccc1Cl.
What is the InChIKey of 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine?
The InChIKey is MASNQMCIKBBBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO/c13-7-1-3-11(9(16)5-7)18-6-10-8(14)2-4-12(15)17-10/h1-5H,6H2.
What are the key properties of 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine?
2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine has a molecular weight of 351.00 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenoxy)methyl]-3,6-dichloropyridine is sourced from PubChem (CID 55127312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).