2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine

C12H8FNO3 — CID 12042979

IUPAC2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine
SMILESFc1cccc(Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H8FNO3/c13-11-2-1-3-12(14-11)17-8-4-5-9-10(6-8)16-7-15-9/h1-6H,7H2
InChIKeyFAAKBQBCCPDIBY-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.74
Rot. Bonds2

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

2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine (PubChem CID 12042979) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine
PubChem CID12042979
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine
SMILESFc1cccc(Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H8FNO3/c13-11-2-1-3-12(14-11)17-8-4-5-9-10(6-8)16-7-15-9/h1-6H,7H2
InChIKeyFAAKBQBCCPDIBY-UHFFFAOYSA-N
XLogP2.74
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 18629059
CID 18629059
CID 18629068
CID 18629068
CID 18629083
CID 18629083
CID 18629093
CID 18629093
CID 18629098
CID 18629098
CID 18629106
CID 18629106
CID 18629113
CID 18629113
CID 18629114
CID 18629114
CID 18629122
CID 18629122
CID 18629130
CID 18629130
CID 18629152
CID 18629152
CID 19860758
CID 19860758

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine (CID 12042979) is 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine is Fc1cccc(Oc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine?
The InChIKey is FAAKBQBCCPDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-11-2-1-3-12(14-11)17-8-4-5-9-10(6-8)16-7-15-9/h1-6H,7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine?
2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine has a molecular weight of 233.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-6-fluoropyridine is sourced from PubChem (CID 12042979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).