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

C17H21ClFNO4 — CID 168876877

IUPAC2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(COc2cc(Cl)nc3c2CCOC32CCOC2)CCOCC1
InChIInChI=1S/C17H21ClFNO4/c18-14-9-13(23-10-16(19)2-6-21-7-3-16)12-1-5-24-17(15(12)20-14)4-8-22-11-17/h9H,1-8,10-11H2
InChIKeyDNNZGADLOXQRKX-UHFFFAOYSA-N
MW357.81 g/mol
LogP2.82
Rot. Bonds3

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

2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 168876877) has the molecular formula C17H21ClFNO4 and a molecular weight of 357.81 g/mol. Its IUPAC name is 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID168876877
Molecular FormulaC17H21ClFNO4
Molecular Weight357.81 g/mol
Exact Mass357.11
IUPAC Name2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC1(COc2cc(Cl)nc3c2CCOC32CCOC2)CCOCC1
InChIInChI=1S/C17H21ClFNO4/c18-14-9-13(23-10-16(19)2-6-21-7-3-16)12-1-5-24-17(15(12)20-14)4-8-22-11-17/h9H,1-8,10-11H2
InChIKeyDNNZGADLOXQRKX-UHFFFAOYSA-N
XLogP2.82
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-4-[3-(difluoromethoxy)propoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728847
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-[(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
2-Chloro-4-[(3-fluorooxetan-3-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168877004
2-Chloro-6-(3-methoxyoxolan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 170351306
2-Chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine
CID 170351375
2-Chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine
CID 170577605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (CID 168876877) is 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is FC1(COc2cc(Cl)nc3c2CCOC32CCOC2)CCOCC1.
What is the InChIKey of 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is DNNZGADLOXQRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNO4/c18-14-9-13(23-10-16(19)2-6-21-7-3-16)12-1-5-24-17(15(12)20-14)4-8-22-11-17/h9H,1-8,10-11H2.
What are the key properties of 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 357.81 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 168876877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).