2-fluoro-4-(4-methyldecan-4-yl)pyridine

C16H26FN — CID 166909360

IUPAC2-fluoro-4-(4-methyldecan-4-yl)pyridine
SMILESCCCCCCC(C)(CCC)c1ccnc(F)c1
InChIInChI=1S/C16H26FN/c1-4-6-7-8-11-16(3,10-5-2)14-9-12-18-15(17)13-14/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyHWYAHBFQJFFJGL-UHFFFAOYSA-N
MW251.39 g/mol
LogP5.25
Rot. Bonds8

About 2-fluoro-4-(4-methyldecan-4-yl)pyridine

2-fluoro-4-(4-methyldecan-4-yl)pyridine (PubChem CID 166909360) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-fluoro-4-(4-methyldecan-4-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(4-methyldecan-4-yl)pyridine
PubChem CID166909360
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-fluoro-4-(4-methyldecan-4-yl)pyridine
SMILESCCCCCCC(C)(CCC)c1ccnc(F)c1
InChIInChI=1S/C16H26FN/c1-4-6-7-8-11-16(3,10-5-2)14-9-12-18-15(17)13-14/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyHWYAHBFQJFFJGL-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(5-methylundecan-5-yl)pyridine
CID 146178387
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
3-fluoro-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377789
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
4-tert-butyl-2-pentylpyridine
CID 129189676
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methyldecan-4-yl)pyridine?
The IUPAC name of 2-fluoro-4-(4-methyldecan-4-yl)pyridine (CID 166909360) is 2-fluoro-4-(4-methyldecan-4-yl)pyridine.
What is the SMILES notation for 2-fluoro-4-(4-methyldecan-4-yl)pyridine?
The canonical SMILES for 2-fluoro-4-(4-methyldecan-4-yl)pyridine is CCCCCCC(C)(CCC)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-4-(4-methyldecan-4-yl)pyridine?
The InChIKey is HWYAHBFQJFFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-7-8-11-16(3,10-5-2)14-9-12-18-15(17)13-14/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of 2-fluoro-4-(4-methyldecan-4-yl)pyridine?
2-fluoro-4-(4-methyldecan-4-yl)pyridine has a molecular weight of 251.39 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methyldecan-4-yl)pyridine is sourced from PubChem (CID 166909360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).