2-fluoro-3,4-dimethoxy-5-methylpyridine

C8H10FNO2 — CID 69021373

IUPAC2-fluoro-3,4-dimethoxy-5-methylpyridine
SMILESCOc1c(C)cnc(F)c1OC
InChIInChI=1S/C8H10FNO2/c1-5-4-10-8(9)7(12-3)6(5)11-2/h4H,1-3H3
InChIKeyYBOGCFGCPYCVGH-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.55
Rot. Bonds2

About 2-fluoro-3,4-dimethoxy-5-methylpyridine

2-fluoro-3,4-dimethoxy-5-methylpyridine (PubChem CID 69021373) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxy-5-methylpyridine.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxy-5-methylpyridine
PubChem CID69021373
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name2-fluoro-3,4-dimethoxy-5-methylpyridine
SMILESCOc1c(C)cnc(F)c1OC
InChIInChI=1S/C8H10FNO2/c1-5-4-10-8(9)7(12-3)6(5)11-2/h4H,1-3H3
InChIKeyYBOGCFGCPYCVGH-UHFFFAOYSA-N
XLogP1.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.55
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-dimethoxy-5-methylpyridine?
The IUPAC name of 2-fluoro-3,4-dimethoxy-5-methylpyridine (CID 69021373) is 2-fluoro-3,4-dimethoxy-5-methylpyridine.
What is the SMILES notation for 2-fluoro-3,4-dimethoxy-5-methylpyridine?
The canonical SMILES for 2-fluoro-3,4-dimethoxy-5-methylpyridine is COc1c(C)cnc(F)c1OC.
What is the InChIKey of 2-fluoro-3,4-dimethoxy-5-methylpyridine?
The InChIKey is YBOGCFGCPYCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-5-4-10-8(9)7(12-3)6(5)11-2/h4H,1-3H3.
What are the key properties of 2-fluoro-3,4-dimethoxy-5-methylpyridine?
2-fluoro-3,4-dimethoxy-5-methylpyridine has a molecular weight of 171.17 g/mol, XLogP of 1.55, 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-dimethoxy-5-methylpyridine is sourced from PubChem (CID 69021373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).