2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine

C12H9BrFNO — CID 82812113

IUPAC2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2cccc(Br)n2)c1F
InChIInChI=1S/C12H9BrFNO/c1-16-10-6-2-4-8(12(10)14)9-5-3-7-11(13)15-9/h2-7H,1H3
InChIKeyVWZSWKMHNAYWRO-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.66
Rot. Bonds2

About 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine

2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine (PubChem CID 82812113) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine
PubChem CID82812113
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2cccc(Br)n2)c1F
InChIInChI=1S/C12H9BrFNO/c1-16-10-6-2-4-8(12(10)14)9-5-3-7-11(13)15-9/h2-7H,1H3
InChIKeyVWZSWKMHNAYWRO-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 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine?
The IUPAC name of 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine (CID 82812113) is 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine.
What is the SMILES notation for 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine?
The canonical SMILES for 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine is COc1cccc(-c2cccc(Br)n2)c1F.
What is the InChIKey of 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine?
The InChIKey is VWZSWKMHNAYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c1-16-10-6-2-4-8(12(10)14)9-5-3-7-11(13)15-9/h2-7H,1H3.
What are the key properties of 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine?
2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine 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 2-bromo-6-(2-fluoro-3-methoxyphenyl)pyridine is sourced from PubChem (CID 82812113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).