N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide

C11H13FN2O2 — CID 103801138

IUPACN-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H13FN2O2/c1-7-4-5-16-10(7)11(15)14-8-2-3-9(12)13-6-8/h2-3,6-7,10H,4-5H2,1H3,(H,14,15)
InChIKeySZYINYIQEMCFBW-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.58
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide

N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide (PubChem CID 103801138) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
PubChem CID103801138
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H13FN2O2/c1-7-4-5-16-10(7)11(15)14-8-2-3-9(12)13-6-8/h2-3,6-7,10H,4-5H2,1H3,(H,14,15)
InChIKeySZYINYIQEMCFBW-UHFFFAOYSA-N
XLogP1.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide (CID 103801138) is N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1ccc(F)nc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The InChIKey is SZYINYIQEMCFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7-4-5-16-10(7)11(15)14-8-2-3-9(12)13-6-8/h2-3,6-7,10H,4-5H2,1H3,(H,14,15).
What are the key properties of N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide?
N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103801138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).