2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]

C14H14ClF2NO4 — CID 168876831

IUPAC2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)COC2(CCOC2)c2nc(Cl)cc(OC3COC3)c21
InChIInChI=1S/C14H14ClF2NO4/c15-10-3-9(22-8-4-20-5-8)11-12(18-10)13(1-2-19-6-13)21-7-14(11,16)17/h3,8H,1-2,4-7H2
InChIKeyLPCTYZFGJANABV-UHFFFAOYSA-N
MW333.72 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]

2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 168876831) has the molecular formula C14H14ClF2NO4 and a molecular weight of 333.72 g/mol. Its IUPAC name is 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID168876831
Molecular FormulaC14H14ClF2NO4
Molecular Weight333.72 g/mol
Exact Mass333.06
IUPAC Name2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)COC2(CCOC2)c2nc(Cl)cc(OC3COC3)c21
InChIInChI=1S/C14H14ClF2NO4/c15-10-3-9(22-8-4-20-5-8)11-12(18-10)13(1-2-19-6-13)21-7-14(11,16)17/h3,8H,1-2,4-7H2
InChIKeyLPCTYZFGJANABV-UHFFFAOYSA-N
XLogP2.25
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] with MolForge

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Related Compounds

2-(8-chloro-4-cyclopropyl-3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl)-3,3,3-trifluoropropane-1,2-diol
CID 139332201
2-chloro-4-(difluoromethoxy)-6-[(3R)-3-methoxyoxolan-3-yl]pyridine
CID 139464525
2-Chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine
CID 139464529
[2-Chloro-6-(3-methoxyoxolan-3-yl)pyridin-4-yl] trifluoromethanesulfonate
CID 139464743
8-chloro-4-methyl-6-[2-(trifluoromethyl)oxiran-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;ethane;methane
CID 145145947
2-chloro-5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728834
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
2-Chloro-4-[2-(3-fluorooxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876871
2-Chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876877
2-Chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876890
2-Chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] (CID 168876831) is 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] is FC1(F)COC2(CCOC2)c2nc(Cl)cc(OC3COC3)c21.
What is the InChIKey of 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is LPCTYZFGJANABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO4/c15-10-3-9(22-8-4-20-5-8)11-12(18-10)13(1-2-19-6-13)21-7-14(11,16)17/h3,8H,1-2,4-7H2.
What are the key properties of 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]?
2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 333.72 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 168876831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).