3-dodecan-5-yl-4-fluoropyridine

C17H28FN — CID 130271983

IUPAC3-dodecan-5-yl-4-fluoropyridine
SMILESCCCCCCCC(CCCC)c1cnccc1F
InChIInChI=1S/C17H28FN/c1-3-5-7-8-9-11-15(10-6-4-2)16-14-19-13-12-17(16)18/h12-15H,3-11H2,1-2H3
InChIKeyLQCPKVQEZXJSFC-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.86
Rot. Bonds10

About 3-dodecan-5-yl-4-fluoropyridine

3-dodecan-5-yl-4-fluoropyridine (PubChem CID 130271983) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-dodecan-5-yl-4-fluoropyridine.

Molecular Properties

Compound Name3-dodecan-5-yl-4-fluoropyridine
PubChem CID130271983
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name3-dodecan-5-yl-4-fluoropyridine
SMILESCCCCCCCC(CCCC)c1cnccc1F
InChIInChI=1S/C17H28FN/c1-3-5-7-8-9-11-15(10-6-4-2)16-14-19-13-12-17(16)18/h12-15H,3-11H2,1-2H3
InChIKeyLQCPKVQEZXJSFC-UHFFFAOYSA-N
XLogP5.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-dodecan-6-yl-4-methylpyridine
CID 129130745
3-dodecan-5-ylpyridine
CID 71051175
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
3-decan-5-ylpyridine
CID 170375029
3-tridecan-7-ylpyridine
CID 129119745
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
1-(4-methyl-3-pyridinyl)nonylhydrazine
CID 105279792
3-(1-fluoroheptan-2-yl)pyridine
CID 150907283
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391

Frequently Asked Questions

What is the IUPAC name of 3-dodecan-5-yl-4-fluoropyridine?
The IUPAC name of 3-dodecan-5-yl-4-fluoropyridine (CID 130271983) is 3-dodecan-5-yl-4-fluoropyridine.
What is the SMILES notation for 3-dodecan-5-yl-4-fluoropyridine?
The canonical SMILES for 3-dodecan-5-yl-4-fluoropyridine is CCCCCCCC(CCCC)c1cnccc1F.
What is the InChIKey of 3-dodecan-5-yl-4-fluoropyridine?
The InChIKey is LQCPKVQEZXJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-3-5-7-8-9-11-15(10-6-4-2)16-14-19-13-12-17(16)18/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-dodecan-5-yl-4-fluoropyridine?
3-dodecan-5-yl-4-fluoropyridine has a molecular weight of 265.42 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecan-5-yl-4-fluoropyridine is sourced from PubChem (CID 130271983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).