3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine

C10H9F2NO — CID 58548658

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine
SMILESFc1cnc(F)c(C2=CCOCC2)c1
InChIInChI=1S/C10H9F2NO/c11-8-5-9(10(12)13-6-8)7-1-3-14-4-2-7/h1,5-6H,2-4H2
InChIKeyBGFBAGSWIYINFE-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.16
Rot. Bonds1

About 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine

3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine (PubChem CID 58548658) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine
PubChem CID58548658
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine
SMILESFc1cnc(F)c(C2=CCOCC2)c1
InChIInChI=1S/C10H9F2NO/c11-8-5-9(10(12)13-6-8)7-1-3-14-4-2-7/h1,5-6H,2-4H2
InChIKeyBGFBAGSWIYINFE-UHFFFAOYSA-N
XLogP2.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine (CID 58548658) is 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine is Fc1cnc(F)c(C2=CCOCC2)c1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine?
The InChIKey is BGFBAGSWIYINFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-8-5-9(10(12)13-6-8)7-1-3-14-4-2-7/h1,5-6H,2-4H2.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine?
3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine has a molecular weight of 197.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)-2,5-difluoropyridine is sourced from PubChem (CID 58548658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).