5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine

C22H26ClF2NO — CID 139947295

IUPAC5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine
SMILESCCCCC1CCC(c2ccc(-c3ccc(Cl)cc3OC(F)F)nc2)CC1
InChIInChI=1S/C22H26ClF2NO/c1-2-3-4-15-5-7-16(8-6-15)17-9-12-20(26-14-17)19-11-10-18(23)13-21(19)27-22(24)25/h9-16,22H,2-8H2,1H3
InChIKeyMIBSYQBDEKIRMW-UHFFFAOYSA-N
MW393.91 g/mol
LogP7.47
Rot. Bonds7

About 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine

5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine (PubChem CID 139947295) has the molecular formula C22H26ClF2NO and a molecular weight of 393.91 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine
PubChem CID139947295
Molecular FormulaC22H26ClF2NO
Molecular Weight393.91 g/mol
Exact Mass393.17
IUPAC Name5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine
SMILESCCCCC1CCC(c2ccc(-c3ccc(Cl)cc3OC(F)F)nc2)CC1
InChIInChI=1S/C22H26ClF2NO/c1-2-3-4-15-5-7-16(8-6-15)17-9-12-20(26-14-17)19-11-10-18(23)13-21(19)27-22(24)25/h9-16,22H,2-8H2,1H3
InChIKeyMIBSYQBDEKIRMW-UHFFFAOYSA-N
XLogP7.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
2-(difluoromethoxy)-5-(4-pentylcyclohexyl)pyridine
CID 19765356
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
[4-chloro-2-(difluoromethoxy)phenyl] 4-(4-pentylcyclohexyl)benzoate
CID 139947277
4-chloro-2-(difluoromethoxy)-1-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 139947282
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947205
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine?
The IUPAC name of 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine (CID 139947295) is 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine?
The canonical SMILES for 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine is CCCCC1CCC(c2ccc(-c3ccc(Cl)cc3OC(F)F)nc2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine?
The InChIKey is MIBSYQBDEKIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2NO/c1-2-3-4-15-5-7-16(8-6-15)17-9-12-20(26-14-17)19-11-10-18(23)13-21(19)27-22(24)25/h9-16,22H,2-8H2,1H3.
What are the key properties of 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine?
5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine has a molecular weight of 393.91 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 139947295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).