5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine

C12H8BrF2NO — CID 115282947

IUPAC5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
SMILESFc1ccc(OCc2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H8BrF2NO/c13-9-2-1-8(11(14)5-9)7-17-10-3-4-12(15)16-6-10/h1-6H,7H2
InChIKeyAXWBGRPXVZVRHY-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.70
Rot. Bonds3

About 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine

5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine (PubChem CID 115282947) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
PubChem CID115282947
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
SMILESFc1ccc(OCc2ccc(Br)cc2F)cn1
InChIInChI=1S/C12H8BrF2NO/c13-9-2-1-8(11(14)5-9)7-17-10-3-4-12(15)16-6-10/h1-6H,7H2
InChIKeyAXWBGRPXVZVRHY-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.70
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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Related Compounds

4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781312
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059
5-[(2,3-difluorophenyl)methoxy]-2-fluoropyridine
CID 115371725
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine (CID 115282947) is 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine is Fc1ccc(OCc2ccc(Br)cc2F)cn1.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine?
The InChIKey is AXWBGRPXVZVRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-9-2-1-8(11(14)5-9)7-17-10-3-4-12(15)16-6-10/h1-6H,7H2.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine?
5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine has a molecular weight of 300.10 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine is sourced from PubChem (CID 115282947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).