2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]

C11H10ClF2NO2 — CID 162728834

IUPAC2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)COC2(CCOC2)c2nc(Cl)ccc21
InChIInChI=1S/C11H10ClF2NO2/c12-8-2-1-7-9(15-8)10(3-4-16-5-10)17-6-11(7,13)14/h1-2H,3-6H2
InChIKeyGKLXSXORCLWXFK-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.47
Rot. Bonds

About 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]

2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 162728834) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID162728834
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)COC2(CCOC2)c2nc(Cl)ccc21
InChIInChI=1S/C11H10ClF2NO2/c12-8-2-1-7-9(15-8)10(3-4-16-5-10)17-6-11(7,13)14/h1-2H,3-6H2
InChIKeyGKLXSXORCLWXFK-UHFFFAOYSA-N
XLogP2.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] with MolForge

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Related Compounds

2-chloro-5H,7H,8H-pyrano[4,3-b]pyridine
CID 71743618
2-chloro-5H,6H,8H-pyrano[3,4-b]pyridine
CID 83827163
2-Chloro-4-(difluoromethyl)-6-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridine
CID 139464603
2-Chloro-4-(difluoromethyl)-6-(4-methyl-1,3-dioxan-4-yl)pyridine
CID 139482481
2-Fluoro-8,8-dimethyl-5,8-dihydro-6H-pyrano[3,4-B]pyridine
CID 156070493
8-Ethyl-2-fluoro-8-methyl-5,6-dihydropyrano[3,4-b]pyridine
CID 156089093
5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728787
5,5-difluoro-1-oxidospiro[6H-pyrano[3,4-b]pyridin-1-ium-8,3'-oxolane]
CID 162728794
2-Chloro-4-[3-(difluoromethoxy)propoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728847
2-Chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728854
4-(Difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728856
2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridine
CID 164866939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] (CID 162728834) is 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] is FC1(F)COC2(CCOC2)c2nc(Cl)ccc21.
What is the InChIKey of 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is GKLXSXORCLWXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-8-2-1-7-9(15-8)10(3-4-16-5-10)17-6-11(7,13)14/h1-2H,3-6H2.
What are the key properties of 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 261.65 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 162728834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).