2-fluoro-6-(5-methyldodecan-5-yl)pyridine

C18H30FN — CID 138690442

IUPAC2-fluoro-6-(5-methyldodecan-5-yl)pyridine
SMILESCCCCCCCC(C)(CCCC)c1cccc(F)n1
InChIInChI=1S/C18H30FN/c1-4-6-8-9-10-15-18(3,14-7-5-2)16-12-11-13-17(19)20-16/h11-13H,4-10,14-15H2,1-3H3
InChIKeyCIRSMTWRVZDCKQ-UHFFFAOYSA-N
MW279.44 g/mol
LogP6.03
Rot. Bonds10

About 2-fluoro-6-(5-methyldodecan-5-yl)pyridine

2-fluoro-6-(5-methyldodecan-5-yl)pyridine (PubChem CID 138690442) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 2-fluoro-6-(5-methyldodecan-5-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(5-methyldodecan-5-yl)pyridine
PubChem CID138690442
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name2-fluoro-6-(5-methyldodecan-5-yl)pyridine
SMILESCCCCCCCC(C)(CCCC)c1cccc(F)n1
InChIInChI=1S/C18H30FN/c1-4-6-8-9-10-15-18(3,14-7-5-2)16-12-11-13-17(19)20-16/h11-13H,4-10,14-15H2,1-3H3
InChIKeyCIRSMTWRVZDCKQ-UHFFFAOYSA-N
XLogP6.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 56.03
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

3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439
2-fluoro-6-(2-fluoropropan-2-yl)pyridine
CID 155978148
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
3-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]hexan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
CID 140602566
4-(5-methylundecan-5-yl)pyridine
CID 146178387
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
3-fluoro-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377789
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline
CID 134415178

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5-methyldodecan-5-yl)pyridine?
The IUPAC name of 2-fluoro-6-(5-methyldodecan-5-yl)pyridine (CID 138690442) is 2-fluoro-6-(5-methyldodecan-5-yl)pyridine.
What is the SMILES notation for 2-fluoro-6-(5-methyldodecan-5-yl)pyridine?
The canonical SMILES for 2-fluoro-6-(5-methyldodecan-5-yl)pyridine is CCCCCCCC(C)(CCCC)c1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(5-methyldodecan-5-yl)pyridine?
The InChIKey is CIRSMTWRVZDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-4-6-8-9-10-15-18(3,14-7-5-2)16-12-11-13-17(19)20-16/h11-13H,4-10,14-15H2,1-3H3.
What are the key properties of 2-fluoro-6-(5-methyldodecan-5-yl)pyridine?
2-fluoro-6-(5-methyldodecan-5-yl)pyridine has a molecular weight of 279.44 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5-methyldodecan-5-yl)pyridine is sourced from PubChem (CID 138690442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).