2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine

C9H11BrFNO — CID 170075893

IUPAC2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine
SMILESCOc1cc(C(C)C)nc(Br)c1F
InChIInChI=1S/C9H11BrFNO/c1-5(2)6-4-7(13-3)8(11)9(10)12-6/h4-5H,1-3H3
InChIKeyLZZQYQZCJVQMBC-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.12
Rot. Bonds2

About 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine

2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine (PubChem CID 170075893) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine
PubChem CID170075893
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine
SMILESCOc1cc(C(C)C)nc(Br)c1F
InChIInChI=1S/C9H11BrFNO/c1-5(2)6-4-7(13-3)8(11)9(10)12-6/h4-5H,1-3H3
InChIKeyLZZQYQZCJVQMBC-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 53.12
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-3-fluoro-4-methoxy-6-propan-2-ylpyridine?
The IUPAC name of 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine (CID 170075893) is 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine.
What is the SMILES notation for 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine?
The canonical SMILES for 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine is COc1cc(C(C)C)nc(Br)c1F.
What is the InChIKey of 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine?
The InChIKey is LZZQYQZCJVQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(2)6-4-7(13-3)8(11)9(10)12-6/h4-5H,1-3H3.
What are the key properties of 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine?
2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine has a molecular weight of 248.09 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine is sourced from PubChem (CID 170075893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).