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

C12H12ClF2NO2 — CID 162728854

IUPAC2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC(F)c1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C12H12ClF2NO2/c13-9-5-8(11(14)15)7-1-3-18-12(10(7)16-9)2-4-17-6-12/h5,11H,1-4,6H2
InChIKeyIFDZWFBUHUBXJD-UHFFFAOYSA-N
MW275.68 g/mol
LogP2.86
Rot. Bonds1

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

2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 162728854) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID162728854
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFC(F)c1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C12H12ClF2NO2/c13-9-5-8(11(14)15)7-1-3-18-12(10(7)16-9)2-4-17-6-12/h5,11H,1-4,6H2
InChIKeyIFDZWFBUHUBXJD-UHFFFAOYSA-N
XLogP2.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
8-Ethyl-2-fluoro-8-methyl-5,6-dihydropyrano[3,4-b]pyridine
CID 156089093
4-(Difluoromethyl)-1-oxidospiro[5,6-dihydropyrano[3,4-b]pyridin-1-ium-8,3'-oxolane]
CID 162728759
5,5-difluorospiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728787
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
4-(Difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728856
3-Chloro-2-fluoro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
CID 167037503
2-chloro-5,5-difluoro-4-(oxetan-3-yloxy)spiro[6H-pyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876831
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-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (CID 162728854) is 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is FC(F)c1cc(Cl)nc2c1CCOC21CCOC1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is IFDZWFBUHUBXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c13-9-5-8(11(14)15)7-1-3-18-12(10(7)16-9)2-4-17-6-12/h5,11H,1-4,6H2.
What are the key properties of 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 275.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 162728854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).