6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide

C11H13FN2O2 — CID 82726069

IUPAC6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
SMILESCC1OCCC1NC(=O)c1cccc(F)n1
InChIInChI=1S/C11H13FN2O2/c1-7-8(5-6-16-7)14-11(15)9-3-2-4-10(12)13-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyYRWADTFMFVYRRE-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds2

About 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide

6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide (PubChem CID 82726069) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
PubChem CID82726069
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
SMILESCC1OCCC1NC(=O)c1cccc(F)n1
InChIInChI=1S/C11H13FN2O2/c1-7-8(5-6-16-7)14-11(15)9-3-2-4-10(12)13-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyYRWADTFMFVYRRE-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide (CID 82726069) is 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide is CC1OCCC1NC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
The InChIKey is YRWADTFMFVYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7-8(5-6-16-7)14-11(15)9-3-2-4-10(12)13-9/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide?
6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 82726069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).