5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine

C17H19BrFN — CID 139662086

IUPAC5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(Br)cn2)cc1F
InChIInChI=1S/C17H19BrFN/c1-2-3-4-5-6-13-7-8-14(11-16(13)19)17-10-9-15(18)12-20-17/h7-12H,2-6H2,1H3
InChIKeyQRNMJEZYVPUNGU-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.77
Rot. Bonds6

About 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine

5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine (PubChem CID 139662086) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
PubChem CID139662086
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(Br)cn2)cc1F
InChIInChI=1S/C17H19BrFN/c1-2-3-4-5-6-13-7-8-14(11-16(13)19)17-10-9-15(18)12-20-17/h7-12H,2-6H2,1H3
InChIKeyQRNMJEZYVPUNGU-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.77
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

5-(3-fluoro-4-heptylphenyl)-2-heptylpyrimidine
CID 19008446
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-(4-decyl-3-fluorophenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821390
2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821346
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
5-(3-fluoro-4-heptylphenyl)pyrimidine-2-carbonitrile
CID 21270880
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
CID 22370325
5-decyl-2-[3-fluoro-4-(5-fluorohexyl)phenyl]pyrimidine
CID 21197056
5-bromo-2-(4-fluoro-3-methylphenyl)pyridine
CID 83920260
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine?
The IUPAC name of 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine (CID 139662086) is 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine is CCCCCCc1ccc(-c2ccc(Br)cn2)cc1F.
What is the InChIKey of 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine?
The InChIKey is QRNMJEZYVPUNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-3-4-5-6-13-7-8-14(11-16(13)19)17-10-9-15(18)12-20-17/h7-12H,2-6H2,1H3.
What are the key properties of 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine?
5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine has a molecular weight of 336.25 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine is sourced from PubChem (CID 139662086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).