5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine

C25H34FN — CID 18638393

IUPAC5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
SMILESCCCCc1ccc(-c2ccc(CCC3CCC(CC)CC3)cc2F)nc1
InChIInChI=1S/C25H34FN/c1-3-5-6-22-14-16-25(27-18-22)23-15-13-21(17-24(23)26)12-11-20-9-7-19(4-2)8-10-20/h13-20H,3-12H2,1-2H3
InChIKeyQMTSGUNZYRDAOM-UHFFFAOYSA-N
MW367.55 g/mol
LogP7.38
Rot. Bonds8

About 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine

5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine (PubChem CID 18638393) has the molecular formula C25H34FN and a molecular weight of 367.55 g/mol. Its IUPAC name is 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine.

Molecular Properties

Compound Name5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
PubChem CID18638393
Molecular FormulaC25H34FN
Molecular Weight367.55 g/mol
Exact Mass367.27
IUPAC Name5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
SMILESCCCCc1ccc(-c2ccc(CCC3CCC(CC)CC3)cc2F)nc1
InChIInChI=1S/C25H34FN/c1-3-5-6-22-14-16-25(27-18-22)23-15-13-21(17-24(23)26)12-11-20-9-7-19(4-2)8-10-20/h13-20H,3-12H2,1-2H3
InChIKeyQMTSGUNZYRDAOM-UHFFFAOYSA-N
XLogP7.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 70403730
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]-6-hexylpyridazine
CID 139778797
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
CID 139779122
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
3-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-hexylpyridazine
CID 139778933
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
3-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139779043

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine?
The IUPAC name of 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine (CID 18638393) is 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine.
What is the SMILES notation for 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine?
The canonical SMILES for 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine is CCCCc1ccc(-c2ccc(CCC3CCC(CC)CC3)cc2F)nc1.
What is the InChIKey of 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine?
The InChIKey is QMTSGUNZYRDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN/c1-3-5-6-22-14-16-25(27-18-22)23-15-13-21(17-24(23)26)12-11-20-9-7-19(4-2)8-10-20/h13-20H,3-12H2,1-2H3.
What are the key properties of 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine?
5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine has a molecular weight of 367.55 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine is sourced from PubChem (CID 18638393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).