3-fluoro-2-(5-methylundecan-5-yl)pyridine

C17H28FN — CID 155261820

IUPAC3-fluoro-2-(5-methylundecan-5-yl)pyridine
SMILESCCCCCCC(C)(CCCC)c1ncccc1F
InChIInChI=1S/C17H28FN/c1-4-6-8-9-13-17(3,12-7-5-2)16-15(18)11-10-14-19-16/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeyMEBOBTHQVBHQNO-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.64
Rot. Bonds9

About 3-fluoro-2-(5-methylundecan-5-yl)pyridine

3-fluoro-2-(5-methylundecan-5-yl)pyridine (PubChem CID 155261820) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-fluoro-2-(5-methylundecan-5-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(5-methylundecan-5-yl)pyridine
PubChem CID155261820
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name3-fluoro-2-(5-methylundecan-5-yl)pyridine
SMILESCCCCCCC(C)(CCCC)c1ncccc1F
InChIInChI=1S/C17H28FN/c1-4-6-8-9-13-17(3,12-7-5-2)16-15(18)11-10-14-19-16/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeyMEBOBTHQVBHQNO-UHFFFAOYSA-N
XLogP5.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.64
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

2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
2-(5-methyldodecan-5-yl)-4-(7-methyltridecan-7-yl)pyrido[3,2-d]pyrimidine
CID 154946377
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
4-(5-methylundecan-5-yl)pyridine
CID 146178387
(2S)-2-amino-2-(3-fluoro-2-pyridinyl)propan-1-ol
CID 55276302
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
4-(7-methyltridecan-7-yl)pyrimidine
CID 126624853

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-methylundecan-5-yl)pyridine?
The IUPAC name of 3-fluoro-2-(5-methylundecan-5-yl)pyridine (CID 155261820) is 3-fluoro-2-(5-methylundecan-5-yl)pyridine.
What is the SMILES notation for 3-fluoro-2-(5-methylundecan-5-yl)pyridine?
The canonical SMILES for 3-fluoro-2-(5-methylundecan-5-yl)pyridine is CCCCCCC(C)(CCCC)c1ncccc1F.
What is the InChIKey of 3-fluoro-2-(5-methylundecan-5-yl)pyridine?
The InChIKey is MEBOBTHQVBHQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-6-8-9-13-17(3,12-7-5-2)16-15(18)11-10-14-19-16/h10-11,14H,4-9,12-13H2,1-3H3.
What are the key properties of 3-fluoro-2-(5-methylundecan-5-yl)pyridine?
3-fluoro-2-(5-methylundecan-5-yl)pyridine has a molecular weight of 265.42 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-methylundecan-5-yl)pyridine is sourced from PubChem (CID 155261820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).