2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine

C14H12FNO5 — CID 18629059

IUPAC2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine
SMILESCOc1cc(OC)c(Oc2ccc3c(c2)OCO3)nc1F
InChIInChI=1S/C14H12FNO5/c1-17-11-6-12(18-2)14(16-13(11)15)21-8-3-4-9-10(5-8)20-7-19-9/h3-6H,7H2,1-2H3
InChIKeyAARUFSHJVPRGSM-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.76
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine

2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine (PubChem CID 18629059) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine
PubChem CID18629059
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine
SMILESCOc1cc(OC)c(Oc2ccc3c(c2)OCO3)nc1F
InChIInChI=1S/C14H12FNO5/c1-17-11-6-12(18-2)14(16-13(11)15)21-8-3-4-9-10(5-8)20-7-19-9/h3-6H,7H2,1-2H3
InChIKeyAARUFSHJVPRGSM-UHFFFAOYSA-N
XLogP2.76
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine (CID 18629059) is 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine is COc1cc(OC)c(Oc2ccc3c(c2)OCO3)nc1F.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine?
The InChIKey is AARUFSHJVPRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-17-11-6-12(18-2)14(16-13(11)15)21-8-3-4-9-10(5-8)20-7-19-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine?
2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine has a molecular weight of 293.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-6-fluoro-3,5-dimethoxypyridine is sourced from PubChem (CID 18629059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).