2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine

C11H12ClF2NO3 — CID 139464529

IUPAC2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine
SMILESCOC1(c2cc(OC(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C11H12ClF2NO3/c1-16-11(2-3-17-6-11)8-4-7(18-10(13)14)5-9(12)15-8/h4-5,10H,2-3,6H2,1H3
InChIKeyZZZAPJYWVYWLDA-UHFFFAOYSA-N
MW279.67 g/mol
LogP2.60
Rot. Bonds4

About 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine

2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine (PubChem CID 139464529) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine
PubChem CID139464529
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine
SMILESCOC1(c2cc(OC(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C11H12ClF2NO3/c1-16-11(2-3-17-6-11)8-4-7(18-10(13)14)5-9(12)15-8/h4-5,10H,2-3,6H2,1H3
InChIKeyZZZAPJYWVYWLDA-UHFFFAOYSA-N
XLogP2.60
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine (CID 139464529) is 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine is COC1(c2cc(OC(F)F)cc(Cl)n2)CCOC1.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine?
The InChIKey is ZZZAPJYWVYWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c1-16-11(2-3-17-6-11)8-4-7(18-10(13)14)5-9(12)15-8/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine?
2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine has a molecular weight of 279.67 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-6-(3-methoxyoxolan-3-yl)pyridine is sourced from PubChem (CID 139464529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).