2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine

C9H9BrFNO — CID 166831306

IUPAC2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine
SMILESC=C(C)C(F)Oc1ccc(Br)nc1
InChIInChI=1S/C9H9BrFNO/c1-6(2)9(11)13-7-3-4-8(10)12-5-7/h3-5,9H,1H2,2H3
InChIKeyOCHHCJWQTVLKJS-UHFFFAOYSA-N
MW246.08 g/mol
LogP3.09
Rot. Bonds3

About 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine

2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine (PubChem CID 166831306) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine
PubChem CID166831306
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine
SMILESC=C(C)C(F)Oc1ccc(Br)nc1
InChIInChI=1S/C9H9BrFNO/c1-6(2)9(11)13-7-3-4-8(10)12-5-7/h3-5,9H,1H2,2H3
InChIKeyOCHHCJWQTVLKJS-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(1,2,2-trifluoroethoxy)pyridine
CID 175422672
(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-[(6-bromo-3-pyridinyl)oxy]propanenitrile
CID 107396751
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
5-[(6-bromo-3-pyridinyl)oxy]pentan-2-one
CID 161220213
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980
2-fluoro-5-prop-1-en-2-yloxypyridine
CID 145168994
2-bromo-5-butoxypyridine
CID 87199523
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
2-bromo-5-(3,3-dimethylbutoxy)pyridine
CID 102670859

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine?
The IUPAC name of 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine (CID 166831306) is 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine.
What is the SMILES notation for 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine?
The canonical SMILES for 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine is C=C(C)C(F)Oc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine?
The InChIKey is OCHHCJWQTVLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-6(2)9(11)13-7-3-4-8(10)12-5-7/h3-5,9H,1H2,2H3.
What are the key properties of 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine?
2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine has a molecular weight of 246.08 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine is sourced from PubChem (CID 166831306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).