2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine

C29H42FN — CID 19859815

IUPAC2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cn2)c(F)c1
InChIInChI=1S/C29H42FN/c1-3-5-7-9-11-23-13-16-25(17-14-23)26-18-20-29(31-22-26)27-19-15-24(21-28(27)30)12-10-8-6-4-2/h15,18-23,25H,3-14,16-17H2,1-2H3
InChIKeyGWBFLPHYKHMLEN-UHFFFAOYSA-N
MW423.66 g/mol
LogP9.25
Rot. Bonds12

About 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine

2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine (PubChem CID 19859815) has the molecular formula C29H42FN and a molecular weight of 423.66 g/mol. Its IUPAC name is 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
PubChem CID19859815
Molecular FormulaC29H42FN
Molecular Weight423.66 g/mol
Exact Mass423.33
IUPAC Name2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cn2)c(F)c1
InChIInChI=1S/C29H42FN/c1-3-5-7-9-11-23-13-16-25(17-14-23)26-18-20-29(31-22-26)27-19-15-24(21-28(27)30)12-10-8-6-4-2/h15,18-23,25H,3-14,16-17H2,1-2H3
InChIKeyGWBFLPHYKHMLEN-UHFFFAOYSA-N
XLogP9.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.66
LogP ≤ 59.25
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-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
CID 19101182
2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19101303
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
CID 18638393
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778517
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778979

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine (CID 19859815) is 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine is CCCCCCc1ccc(-c2ccc(C3CCC(CCCCCC)CC3)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine?
The InChIKey is GWBFLPHYKHMLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42FN/c1-3-5-7-9-11-23-13-16-25(17-14-23)26-18-20-29(31-22-26)27-19-15-24(21-28(27)30)12-10-8-6-4-2/h15,18-23,25H,3-14,16-17H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine?
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine has a molecular weight of 423.66 g/mol, XLogP of 9.25, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine is sourced from PubChem (CID 19859815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).