N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide

C13H9FN2O4 — CID 18629093

IUPACN-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide
SMILESO=CNc1ccc(Oc2ccc3c(c2)OCO3)nc1F
InChIInChI=1S/C13H9FN2O4/c14-13-9(15-6-17)2-4-12(16-13)20-8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,17)
InChIKeyRKXGANVLNAGFKV-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.31
Rot. Bonds4

About N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide

N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide (PubChem CID 18629093) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide
PubChem CID18629093
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC NameN-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide
SMILESO=CNc1ccc(Oc2ccc3c(c2)OCO3)nc1F
InChIInChI=1S/C13H9FN2O4/c14-13-9(15-6-17)2-4-12(16-13)20-8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,17)
InChIKeyRKXGANVLNAGFKV-UHFFFAOYSA-N
XLogP2.31
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide?
The IUPAC name of N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide (CID 18629093) is N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide.
What is the SMILES notation for N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide?
The canonical SMILES for N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide is O=CNc1ccc(Oc2ccc3c(c2)OCO3)nc1F.
What is the InChIKey of N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide?
The InChIKey is RKXGANVLNAGFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-13-9(15-6-17)2-4-12(16-13)20-8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,17).
What are the key properties of N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide?
N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide has a molecular weight of 276.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]formamide is sourced from PubChem (CID 18629093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).