N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C10H9FN2O3 — CID 103789893

IUPACN-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)nc1)C1=COCCO1
InChIInChI=1S/C10H9FN2O3/c11-9-2-1-7(5-12-9)13-10(14)8-6-15-3-4-16-8/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyLLMAZEHJBGOMBV-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.05
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103789893) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103789893
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC NameN-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(F)nc1)C1=COCCO1
InChIInChI=1S/C10H9FN2O3/c11-9-2-1-7(5-12-9)13-10(14)8-6-15-3-4-16-8/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyLLMAZEHJBGOMBV-UHFFFAOYSA-N
XLogP1.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103789893) is N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(F)nc1)C1=COCCO1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is LLMAZEHJBGOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-9-2-1-7(5-12-9)13-10(14)8-6-15-3-4-16-8/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 224.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103789893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).