2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine

C9H11BrFNO — CID 170351338

IUPAC2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine
SMILESCOc1cc(Br)nc(C(C)(C)F)c1
InChIInChI=1S/C9H11BrFNO/c1-9(2,11)7-4-6(13-3)5-8(10)12-7/h4-5H,1-3H3
InChIKeyVOKLCKGANNNNBJ-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.06
Rot. Bonds2

About 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine

2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine (PubChem CID 170351338) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine.

Molecular Properties

Compound Name2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine
PubChem CID170351338
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine
SMILESCOc1cc(Br)nc(C(C)(C)F)c1
InChIInChI=1S/C9H11BrFNO/c1-9(2,11)7-4-6(13-3)5-8(10)12-7/h4-5H,1-3H3
InChIKeyVOKLCKGANNNNBJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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-fluoropropan-2-yl)-4-methoxypyridine?
The IUPAC name of 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine (CID 170351338) is 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine.
What is the SMILES notation for 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine?
The canonical SMILES for 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine is COc1cc(Br)nc(C(C)(C)F)c1.
What is the InChIKey of 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine?
The InChIKey is VOKLCKGANNNNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-9(2,11)7-4-6(13-3)5-8(10)12-7/h4-5H,1-3H3.
What are the key properties of 2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine?
2-bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine has a molecular weight of 248.09 g/mol, XLogP of 3.06, 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-fluoropropan-2-yl)-4-methoxypyridine is sourced from PubChem (CID 170351338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).