5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine

C12H9BrFNO — CID 123344877

IUPAC5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine
SMILESCOc1ccc(Br)cc1-c1ccc(F)nc1
InChIInChI=1S/C12H9BrFNO/c1-16-11-4-3-9(13)6-10(11)8-2-5-12(14)15-7-8/h2-7H,1H3
InChIKeyKDMYYUPMIKHQPK-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.66
Rot. Bonds2

About 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine

5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine (PubChem CID 123344877) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine
PubChem CID123344877
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine
SMILESCOc1ccc(Br)cc1-c1ccc(F)nc1
InChIInChI=1S/C12H9BrFNO/c1-16-11-4-3-9(13)6-10(11)8-2-5-12(14)15-7-8/h2-7H,1H3
InChIKeyKDMYYUPMIKHQPK-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.66
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 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine (CID 123344877) is 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine is COc1ccc(Br)cc1-c1ccc(F)nc1.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine?
The InChIKey is KDMYYUPMIKHQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c1-16-11-4-3-9(13)6-10(11)8-2-5-12(14)15-7-8/h2-7H,1H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine?
5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine has a molecular weight of 282.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-2-fluoropyridine is sourced from PubChem (CID 123344877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).