2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine

C12H6BrClF3NO — CID 175941451

IUPAC2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine
SMILESFc1cc(Cl)ccc1COc1nc(Br)c(F)cc1F
InChIInChI=1S/C12H6BrClF3NO/c13-11-9(16)4-10(17)12(18-11)19-5-6-1-2-7(14)3-8(6)15/h1-4H,5H2
InChIKeyBEZAWDQRUGMRDD-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.49
Rot. Bonds3

About 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine

2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine (PubChem CID 175941451) has the molecular formula C12H6BrClF3NO and a molecular weight of 352.54 g/mol. Its IUPAC name is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine.

Molecular Properties

Compound Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine
PubChem CID175941451
Molecular FormulaC12H6BrClF3NO
Molecular Weight352.54 g/mol
Exact Mass350.93
IUPAC Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine
SMILESFc1cc(Cl)ccc1COc1nc(Br)c(F)cc1F
InChIInChI=1S/C12H6BrClF3NO/c13-11-9(16)4-10(17)12(18-11)19-5-6-1-2-7(14)3-8(6)15/h1-4H,5H2
InChIKeyBEZAWDQRUGMRDD-UHFFFAOYSA-N
XLogP4.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.49
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-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine?
The IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine (CID 175941451) is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine.
What is the SMILES notation for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine?
The canonical SMILES for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine is Fc1cc(Cl)ccc1COc1nc(Br)c(F)cc1F.
What is the InChIKey of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine?
The InChIKey is BEZAWDQRUGMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO/c13-11-9(16)4-10(17)12(18-11)19-5-6-1-2-7(14)3-8(6)15/h1-4H,5H2.
What are the key properties of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine?
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine has a molecular weight of 352.54 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine is sourced from PubChem (CID 175941451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).