5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine

C28H38FN — CID 19101330

IUPAC5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
SMILESCCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)nc2)CC1
InChIInChI=1S/C28H38FN/c1-3-4-5-21-8-12-23(13-9-21)25-15-17-28(30-19-25)26-16-14-24(18-27(26)29)22-10-6-20(2)7-11-22/h14-23H,3-13H2,1-2H3
InChIKeyLAYYQJLWGCLAQB-UHFFFAOYSA-N
MW407.62 g/mol
LogP8.65
Rot. Bonds6

About 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine

5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine (PubChem CID 19101330) has the molecular formula C28H38FN and a molecular weight of 407.62 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
PubChem CID19101330
Molecular FormulaC28H38FN
Molecular Weight407.62 g/mol
Exact Mass407.30
IUPAC Name5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
SMILESCCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)nc2)CC1
InChIInChI=1S/C28H38FN/c1-3-4-5-21-8-12-23(13-9-21)25-15-17-28(30-19-25)26-16-14-24(18-27(26)29)22-10-6-20(2)7-11-22/h14-23H,3-13H2,1-2H3
InChIKeyLAYYQJLWGCLAQB-UHFFFAOYSA-N
XLogP8.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.62
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19101303
2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
CID 19101182
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine
CID 139947295
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688098

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine?
The IUPAC name of 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine (CID 19101330) is 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine is CCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)nc2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine?
The InChIKey is LAYYQJLWGCLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN/c1-3-4-5-21-8-12-23(13-9-21)25-15-17-28(30-19-25)26-16-14-24(18-27(26)29)22-10-6-20(2)7-11-22/h14-23H,3-13H2,1-2H3.
What are the key properties of 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine?
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine has a molecular weight of 407.62 g/mol, XLogP of 8.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 19101330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).