2-fluoro-3,4-dimethoxypyridine

C7H8FNO2 — CID 69021121

IUPAC2-fluoro-3,4-dimethoxypyridine
SMILESCOc1ccnc(F)c1OC
InChIInChI=1S/C7H8FNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3
InChIKeyFZEATTGQUHEFPC-UHFFFAOYSA-N
MW157.14 g/mol
LogP1.24
Rot. Bonds2

About 2-fluoro-3,4-dimethoxypyridine

2-fluoro-3,4-dimethoxypyridine (PubChem CID 69021121) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxypyridine
PubChem CID69021121
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-fluoro-3,4-dimethoxypyridine
SMILESCOc1ccnc(F)c1OC
InChIInChI=1S/C7H8FNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3
InChIKeyFZEATTGQUHEFPC-UHFFFAOYSA-N
XLogP1.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-3,4-dimethoxypyridine?
The IUPAC name of 2-fluoro-3,4-dimethoxypyridine (CID 69021121) is 2-fluoro-3,4-dimethoxypyridine.
What is the SMILES notation for 2-fluoro-3,4-dimethoxypyridine?
The canonical SMILES for 2-fluoro-3,4-dimethoxypyridine is COc1ccnc(F)c1OC.
What is the InChIKey of 2-fluoro-3,4-dimethoxypyridine?
The InChIKey is FZEATTGQUHEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-3,4-dimethoxypyridine?
2-fluoro-3,4-dimethoxypyridine has a molecular weight of 157.14 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethoxypyridine is sourced from PubChem (CID 69021121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).