2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine

C17H25F2NO — CID 71469715

IUPAC2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine
SMILESC=C(F)C(CCCCCCCCC)Oc1cccc(F)n1
InChIInChI=1S/C17H25F2NO/c1-3-4-5-6-7-8-9-11-15(14(2)18)21-17-13-10-12-16(19)20-17/h10,12-13,15H,2-9,11H2,1H3
InChIKeyNQJNOUOHFLSKEE-UHFFFAOYSA-N
MW297.39 g/mol
LogP5.59
Rot. Bonds11

About 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine

2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine (PubChem CID 71469715) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine
PubChem CID71469715
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine
SMILESC=C(F)C(CCCCCCCCC)Oc1cccc(F)n1
InChIInChI=1S/C17H25F2NO/c1-3-4-5-6-7-8-9-11-15(14(2)18)21-17-13-10-12-16(19)20-17/h10,12-13,15H,2-9,11H2,1H3
InChIKeyNQJNOUOHFLSKEE-UHFFFAOYSA-N
XLogP5.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.39
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Dodecyloxy)pyridine
CID 96440
Octyl 2-pyridyl ether
CID 98754
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
2-Methoxy-6-(tributylstannyl)pyridine
CID 10524891
2-Fluoro-6-methoxypyridine
CID 14296367
2-(Octadecyloxy)pyridine
CID 96483
2-Dodecyloxypyridine-5-boronic acid
CID 22412821
2-Chloro-6-isopropoxypyridine
CID 13309095
2-Bromo-6-isopropoxypyridine
CID 22180768
2-(Difluoromethoxy)-6-fluoropyridine
CID 26985479
2-Ethoxy-6-fluoropyridine
CID 53424555
2-(Prop-2-yn-1-yloxy)-6-(trifluoromethyl)pyridine
CID 53903078

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine?
The IUPAC name of 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine (CID 71469715) is 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine.
What is the SMILES notation for 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine?
The canonical SMILES for 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine is C=C(F)C(CCCCCCCCC)Oc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine?
The InChIKey is NQJNOUOHFLSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-4-5-6-7-8-9-11-15(14(2)18)21-17-13-10-12-16(19)20-17/h10,12-13,15H,2-9,11H2,1H3.
What are the key properties of 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine?
2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine has a molecular weight of 297.39 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-fluorododec-1-en-3-yloxy)pyridine is sourced from PubChem (CID 71469715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).