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

C17H16ClFN2O3 — CID 168876890

IUPAC2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFc1cnccc1COc1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C17H16ClFN2O3/c18-15-7-14(23-9-11-1-4-20-8-13(11)19)12-2-5-24-17(16(12)21-15)3-6-22-10-17/h1,4,7-8H,2-3,5-6,9-10H2
InChIKeyJZJVAZSXKKCITN-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.04
Rot. Bonds3

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

2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (PubChem CID 168876890) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].

Molecular Properties

Compound Name2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
PubChem CID168876890
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
SMILESFc1cnccc1COc1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C17H16ClFN2O3/c18-15-7-14(23-9-11-1-4-20-8-13(11)19)12-2-5-24-17(16(12)21-15)3-6-22-10-17/h1,4,7-8H,2-3,5-6,9-10H2
InChIKeyJZJVAZSXKKCITN-UHFFFAOYSA-N
XLogP3.04
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] with MolForge

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Related Compounds

US10155760, Example 154
CID 118429734
US10155760, Example 156
CID 118429797
US20240116947, Example 1
CID 171419248
5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 71233518
3-(2-Chloropyridin-4-yloxy)-2-(4-fluorophenyl)-6-methylpyridine
CID 86627943
4-(4-Chloro-3-fluorophenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-ol
CID 89964524
5-Chloro-2-((6-((2-(2,4-difluorophenyl)oxiran-2-yl)difluoromethyl)pyridin-3-yl)oxy)pyridine
CID 117720514
4-(5-Chloro-2-fluoropyridin-3-yl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 118205384
(2S)-1-[[6-(2-chloro-4-pyridinyl)-5-fluoro-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419797
2-(2-(4-Chloro-2-fluorobenzyl)oxiran-2-yl)-5-(4-chlorophenoxyl)pyridine
CID 118431466
5-Chloro-2-((6-(2-(2,4-difluorophenethyl)oxiran-2-yl)pyridin-3-yl)oxy)pyridine
CID 118431507
5-Chloro-2-[[6-[2-[1-fluoro-2-(4-fluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine
CID 118431508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The IUPAC name of 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] (CID 168876890) is 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane].
What is the SMILES notation for 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The canonical SMILES for 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is Fc1cnccc1COc1cc(Cl)nc2c1CCOC21CCOC1.
What is the InChIKey of 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
The InChIKey is JZJVAZSXKKCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c18-15-7-14(23-9-11-1-4-20-8-13(11)19)12-2-5-24-17(16(12)21-15)3-6-22-10-17/h1,4,7-8H,2-3,5-6,9-10H2.
What are the key properties of 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]?
2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] has a molecular weight of 350.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-fluoro-4-pyridinyl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane] is sourced from PubChem (CID 168876890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).