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

C14H11FN2O4 — CID 18629106

IUPAC2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide
SMILESNC(=O)Cc1ccc(Oc2ccc3c(c2)OCO3)nc1F
InChIInChI=1S/C14H11FN2O4/c15-14-8(5-12(16)18)1-4-13(17-14)21-9-2-3-10-11(6-9)20-7-19-10/h1-4,6H,5,7H2,(H2,16,18)
InChIKeyYKGLRZJFLHEADU-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.77
Rot. Bonds4

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

2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide (PubChem CID 18629106) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide
PubChem CID18629106
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide
SMILESNC(=O)Cc1ccc(Oc2ccc3c(c2)OCO3)nc1F
InChIInChI=1S/C14H11FN2O4/c15-14-8(5-12(16)18)1-4-13(17-14)21-9-2-3-10-11(6-9)20-7-19-10/h1-4,6H,5,7H2,(H2,16,18)
InChIKeyYKGLRZJFLHEADU-UHFFFAOYSA-N
XLogP1.77
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(1,3-benzodioxol-5-yloxy)-2-fluoropyridine-3-carboxylate
CID 18629122
[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
CID 62297582
4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
CID 80881241
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
4-(1,3-benzodioxol-5-yloxy)-3,5-difluorobenzoic acid
CID 63076520
1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
N-[[6-(1,3-benzodioxol-5-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449828
2-(1,3-benzodioxol-5-yloxy)-5-butan-2-ylpyridine
CID 70948992
4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103241257

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide?
The IUPAC name of 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide (CID 18629106) is 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide?
The canonical SMILES for 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide is NC(=O)Cc1ccc(Oc2ccc3c(c2)OCO3)nc1F.
What is the InChIKey of 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide?
The InChIKey is YKGLRZJFLHEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-14-8(5-12(16)18)1-4-13(17-14)21-9-2-3-10-11(6-9)20-7-19-10/h1-4,6H,5,7H2,(H2,16,18).
What are the key properties of 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide?
2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide has a molecular weight of 290.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide is sourced from PubChem (CID 18629106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).