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

C24H19Br2F3N2O2 — CID 159925318

IUPAC5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol
SMILESFc1ccc(Br)cn1.Fc1ccc(COc2ccc(Br)cn2)cc1.OCc1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO.C7H7FO.C5H3BrFN/c13-10-3-6-12(15-7-10)16-8-9-1-4-11(14)5-2-9;8-7-3-1-6(5-9)2-4-7;6-4-1-2-5(7)8-3-4/h1-7H,8H2;1-4,9H,5H2;1-3H
InChIKeyNYYBMVKHYFEHDQ-UHFFFAOYSA-N
MW584.23 g/mol
LogP6.86
Rot. Bonds4

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

5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol (PubChem CID 159925318) has the molecular formula C24H19Br2F3N2O2 and a molecular weight of 584.23 g/mol. Its IUPAC name is 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol.

Molecular Properties

Compound Name5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol
PubChem CID159925318
Molecular FormulaC24H19Br2F3N2O2
Molecular Weight584.23 g/mol
Exact Mass581.98
IUPAC Name5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol
SMILESFc1ccc(Br)cn1.Fc1ccc(COc2ccc(Br)cn2)cc1.OCc1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO.C7H7FO.C5H3BrFN/c13-10-3-6-12(15-7-10)16-8-9-1-4-11(14)5-2-9;8-7-3-1-6(5-9)2-4-7;6-4-1-2-5(7)8-3-4/h1-7H,8H2;1-4,9H,5H2;1-3H
InChIKeyNYYBMVKHYFEHDQ-UHFFFAOYSA-N
XLogP6.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.23
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine
CID 70248876
[4-[(5-bromo-2-pyridinyl)oxy]phenyl]methanol
CID 61373994
[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 159099141
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
3-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazole
CID 141170948
5-bromo-2-[(2-bromophenyl)methoxy]pyridine
CID 82832179
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
CID 161432610
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol?
The IUPAC name of 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol (CID 159925318) is 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol.
What is the SMILES notation for 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol?
The canonical SMILES for 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol is Fc1ccc(Br)cn1.Fc1ccc(COc2ccc(Br)cn2)cc1.OCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol?
The InChIKey is NYYBMVKHYFEHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO.C7H7FO.C5H3BrFN/c13-10-3-6-12(15-7-10)16-8-9-1-4-11(14)5-2-9;8-7-3-1-6(5-9)2-4-7;6-4-1-2-5(7)8-3-4/h1-7H,8H2;1-4,9H,5H2;1-3H.
What are the key properties of 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol?
5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol has a molecular weight of 584.23 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-fluorophenyl)methoxy]pyridine;5-bromo-2-fluoropyridine;(4-fluorophenyl)methanol is sourced from PubChem (CID 159925318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).