2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]

C16H18ClF2NO3 — CID 168876901

IUPAC2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)CC(COc2cc(Cl)nc3c2CCOC32CCOC2)C1
InChIInChI=1S/C16H18ClF2NO3/c17-13-5-12(22-8-10-6-16(18,19)7-10)11-1-3-23-15(14(11)20-13)2-4-21-9-15/h5,10H,1-4,6-9H2
InChIKeyVLWRPNKUKZRJTQ-UHFFFAOYSA-N
MW345.77 g/mol
LogP3.35
Rot. Bonds3

About 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]

2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 168876901) has the molecular formula C16H18ClF2NO3 and a molecular weight of 345.77 g/mol. Its IUPAC name is 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID168876901
Molecular FormulaC16H18ClF2NO3
Molecular Weight345.77 g/mol
Exact Mass345.09
IUPAC Name2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(F)CC(COc2cc(Cl)nc3c2CCOC32CCOC2)C1
InChIInChI=1S/C16H18ClF2NO3/c17-13-5-12(22-8-10-6-16(18,19)7-10)11-1-3-23-15(14(11)20-13)2-4-21-9-15/h5,10H,1-4,6-9H2
InChIKeyVLWRPNKUKZRJTQ-UHFFFAOYSA-N
XLogP3.35
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
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-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876831
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-fluorooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168877004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (CID 168876901) is 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is FC1(F)CC(COc2cc(Cl)nc3c2CCOC32CCOC2)C1.
What is the InChIKey of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is VLWRPNKUKZRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2NO3/c17-13-5-12(22-8-10-6-16(18,19)7-10)11-1-3-23-15(14(11)20-13)2-4-21-9-15/h5,10H,1-4,6-9H2.
What are the key properties of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 345.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 168876901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).