2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine

C11H14FNO3 — CID 13009134

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine
SMILESCC1(C)OCC(COc2cccc(F)n2)O1
InChIInChI=1S/C11H14FNO3/c1-11(2)15-7-8(16-11)6-14-10-5-3-4-9(12)13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyDEACZIYYKZKMRB-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.75
Rot. Bonds3

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine (PubChem CID 13009134) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine
PubChem CID13009134
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine
SMILESCC1(C)OCC(COc2cccc(F)n2)O1
InChIInChI=1S/C11H14FNO3/c1-11(2)15-7-8(16-11)6-14-10-5-3-4-9(12)13-10/h3-5,8H,6-7H2,1-2H3
InChIKeyDEACZIYYKZKMRB-UHFFFAOYSA-N
XLogP1.75
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.75
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-Fluoro-6-methoxypyridine
CID 14296367
2-Ethoxy-6-fluoropyridine
CID 53424555
2-(2,2-Diethoxyethoxy)pyridine
CID 60031428
2-Fluoro-6-(propan-2-yloxy)pyridine
CID 61229350
2-Bromo-6-(2-methoxyethoxy)pyridine
CID 63964039
3-Fluoro-2,6-dimethoxypyridine
CID 130784380
2-Fluoro-6-octyloxypyridine
CID 19046937
Tert-butyl 2-[(6-fluoropyridin-2-yl)oxy]acetate
CID 165942277
2-Fluoro-6-isopropoxypyridine-3-boronic acid
CID 53216457
2-Fluoro-6-prop-2-enoxypyridine
CID 61227601
2-Fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine
CID 71469715
2-(2-Ethoxy-5-methylhex-1-en-3-yl)oxy-6-fluoropyridine
CID 101965805

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine (CID 13009134) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine is CC1(C)OCC(COc2cccc(F)n2)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine?
The InChIKey is DEACZIYYKZKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-11(2)15-7-8(16-11)6-14-10-5-3-4-9(12)13-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine has a molecular weight of 227.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-fluoropyridine is sourced from PubChem (CID 13009134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).