2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine

C15H18ClF2NO3 — CID 170351375

IUPAC2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine
SMILESCOC1(c2cc(OC3CC(C(F)F)C3)cc(Cl)n2)CCOC1
InChIInChI=1S/C15H18ClF2NO3/c1-20-15(2-3-21-8-15)12-6-11(7-13(16)19-12)22-10-4-9(5-10)14(17)18/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyGMBXUZRTTBRGKF-UHFFFAOYSA-N
MW333.76 g/mol
LogP3.42
Rot. Bonds5

About 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine

2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine (PubChem CID 170351375) has the molecular formula C15H18ClF2NO3 and a molecular weight of 333.76 g/mol. Its IUPAC name is 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine
PubChem CID170351375
Molecular FormulaC15H18ClF2NO3
Molecular Weight333.76 g/mol
Exact Mass333.09
IUPAC Name2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine
SMILESCOC1(c2cc(OC3CC(C(F)F)C3)cc(Cl)n2)CCOC1
InChIInChI=1S/C15H18ClF2NO3/c1-20-15(2-3-21-8-15)12-6-11(7-13(16)19-12)22-10-4-9(5-10)14(17)18/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyGMBXUZRTTBRGKF-UHFFFAOYSA-N
XLogP3.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 53.42
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-Chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine
CID 121387198
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine?
The IUPAC name of 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine (CID 170351375) is 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine.
What is the SMILES notation for 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine?
The canonical SMILES for 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine is COC1(c2cc(OC3CC(C(F)F)C3)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine?
The InChIKey is GMBXUZRTTBRGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO3/c1-20-15(2-3-21-8-15)12-6-11(7-13(16)19-12)22-10-4-9(5-10)14(17)18/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine?
2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine has a molecular weight of 333.76 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(difluoromethyl)cyclobutyl]oxy-6-(3-methoxyoxolan-3-yl)pyridine is sourced from PubChem (CID 170351375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).