2-(2-fluoro-4-methylphenyl)-5-pentylpyridine

C17H20FN — CID 19101131

IUPAC2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(C)cc2F)nc1
InChIInChI=1S/C17H20FN/c1-3-4-5-6-14-8-10-17(19-12-14)15-9-7-13(2)11-16(15)18/h7-12H,3-6H2,1-2H3
InChIKeyVUTFBYSJIMTFJQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.93
Rot. Bonds5

About 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine

2-(2-fluoro-4-methylphenyl)-5-pentylpyridine (PubChem CID 19101131) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
PubChem CID19101131
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(C)cc2F)nc1
InChIInChI=1S/C17H20FN/c1-3-4-5-6-14-8-10-17(19-12-14)15-9-7-13(2)11-16(15)18/h7-12H,3-6H2,1-2H3
InChIKeyVUTFBYSJIMTFJQ-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.93
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-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
CID 162214367
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
CID 57131697
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine (CID 19101131) is 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine is CCCCCc1ccc(-c2ccc(C)cc2F)nc1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine?
The InChIKey is VUTFBYSJIMTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-4-5-6-14-8-10-17(19-12-14)15-9-7-13(2)11-16(15)18/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine?
2-(2-fluoro-4-methylphenyl)-5-pentylpyridine has a molecular weight of 257.35 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-5-pentylpyridine is sourced from PubChem (CID 19101131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).