N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide

C11H12F2N2O2 — CID 103097804

IUPACN-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CCOCC1
InChIInChI=1S/C11H12F2N2O2/c12-9-2-1-8(10(13)15-9)14-11(16)7-3-5-17-6-4-7/h1-2,7H,3-6H2,(H,14,16)
InChIKeyYGSINVZBTWPIFH-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.72
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide

N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide (PubChem CID 103097804) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
PubChem CID103097804
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC NameN-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CCOCC1
InChIInChI=1S/C11H12F2N2O2/c12-9-2-1-8(10(13)15-9)14-11(16)7-3-5-17-6-4-7/h1-2,7H,3-6H2,(H,14,16)
InChIKeyYGSINVZBTWPIFH-UHFFFAOYSA-N
XLogP1.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.72
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-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide (CID 103097804) is N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide is O=C(Nc1ccc(F)nc1F)C1CCOCC1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is YGSINVZBTWPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-9-2-1-8(10(13)15-9)14-11(16)7-3-5-17-6-4-7/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide?
N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 242.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 103097804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).