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

C17H28FN — CID 139342335

IUPAC2-fluoro-3-(5-methylundecan-5-yl)pyridine
SMILESCCCCCCC(C)(CCCC)c1cccnc1F
InChIInChI=1S/C17H28FN/c1-4-6-8-9-13-17(3,12-7-5-2)15-11-10-14-19-16(15)18/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeySSFRIPRDJIZXDX-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.64
Rot. Bonds9

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

2-fluoro-3-(5-methylundecan-5-yl)pyridine (PubChem CID 139342335) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-fluoro-3-(5-methylundecan-5-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(5-methylundecan-5-yl)pyridine
PubChem CID139342335
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name2-fluoro-3-(5-methylundecan-5-yl)pyridine
SMILESCCCCCCC(C)(CCCC)c1cccnc1F
InChIInChI=1S/C17H28FN/c1-4-6-8-9-13-17(3,12-7-5-2)15-11-10-14-19-16(15)18/h10-11,14H,4-9,12-13H2,1-3H3
InChIKeySSFRIPRDJIZXDX-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': '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-3-(2-methylbutan-2-yl)pyridine
CID 146620582
2-(5-methyldodecan-5-yl)-4-(7-methyltridecan-7-yl)pyrido[3,2-d]pyrimidine
CID 154946377
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
3-(1,1-difluoroethyl)-2-fluoropyridine
CID 145371405
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
4-(5-methylundecan-5-yl)pyridine
CID 146178387
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-methylundecan-5-yl)pyridine?
The IUPAC name of 2-fluoro-3-(5-methylundecan-5-yl)pyridine (CID 139342335) is 2-fluoro-3-(5-methylundecan-5-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-(5-methylundecan-5-yl)pyridine?
The canonical SMILES for 2-fluoro-3-(5-methylundecan-5-yl)pyridine is CCCCCCC(C)(CCCC)c1cccnc1F.
What is the InChIKey of 2-fluoro-3-(5-methylundecan-5-yl)pyridine?
The InChIKey is SSFRIPRDJIZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-6-8-9-13-17(3,12-7-5-2)15-11-10-14-19-16(15)18/h10-11,14H,4-9,12-13H2,1-3H3.
What are the key properties of 2-fluoro-3-(5-methylundecan-5-yl)pyridine?
2-fluoro-3-(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 2-fluoro-3-(5-methylundecan-5-yl)pyridine is sourced from PubChem (CID 139342335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).