2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine

C14H16ClF2NO3 — CID 170577605

IUPAC2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine
SMILESCOC1(c2cc(OC3CC(F)(F)C3)cc(Cl)n2)CCOC1
InChIInChI=1S/C14H16ClF2NO3/c1-19-13(2-3-20-8-13)11-4-9(5-12(15)18-11)21-10-6-14(16,17)7-10/h4-5,10H,2-3,6-8H2,1H3
InChIKeyZMOYIKQOKCBFIA-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.17
Rot. Bonds4

About 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine

2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine (PubChem CID 170577605) has the molecular formula C14H16ClF2NO3 and a molecular weight of 319.74 g/mol. Its IUPAC name is 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine
PubChem CID170577605
Molecular FormulaC14H16ClF2NO3
Molecular Weight319.74 g/mol
Exact Mass319.08
IUPAC Name2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine
SMILESCOC1(c2cc(OC3CC(F)(F)C3)cc(Cl)n2)CCOC1
InChIInChI=1S/C14H16ClF2NO3/c1-19-13(2-3-20-8-13)11-4-9(5-12(15)18-11)21-10-6-14(16,17)7-10/h4-5,10H,2-3,6-8H2,1H3
InChIKeyZMOYIKQOKCBFIA-UHFFFAOYSA-N
XLogP3.17
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.17
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

4-Chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 121387809
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
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-[(4-fluorooxan-4-yl)methoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876877
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine?
The IUPAC name of 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine (CID 170577605) is 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine?
The canonical SMILES for 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine is COC1(c2cc(OC3CC(F)(F)C3)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine?
The InChIKey is ZMOYIKQOKCBFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO3/c1-19-13(2-3-20-8-13)11-4-9(5-12(15)18-11)21-10-6-14(16,17)7-10/h4-5,10H,2-3,6-8H2,1H3.
What are the key properties of 2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine?
2-chloro-4-(3,3-difluorocyclobutyl)oxy-6-(3-methoxyoxolan-3-yl)pyridine has a molecular weight of 319.74 g/mol, XLogP of 3.17, 4 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)oxy-6-(3-methoxyoxolan-3-yl)pyridine is sourced from PubChem (CID 170577605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).