2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine

C24H31F2N — CID 67924020

IUPAC2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
SMILESCCCCCC1CCC(c2ccccc2CCc2ccc(F)nc2F)CC1
InChIInChI=1S/C24H31F2N/c1-2-3-4-7-18-10-12-20(13-11-18)22-9-6-5-8-19(22)14-15-21-16-17-23(25)27-24(21)26/h5-6,8-9,16-18,20H,2-4,7,10-15H2,1H3
InChIKeyOTKIDAQJNAVWRQ-UHFFFAOYSA-N
MW371.52 g/mol
LogP7.00
Rot. Bonds8

About 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine

2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine (PubChem CID 67924020) has the molecular formula C24H31F2N and a molecular weight of 371.52 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
PubChem CID67924020
Molecular FormulaC24H31F2N
Molecular Weight371.52 g/mol
Exact Mass371.24
IUPAC Name2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
SMILESCCCCCC1CCC(c2ccccc2CCc2ccc(F)nc2F)CC1
InChIInChI=1S/C24H31F2N/c1-2-3-4-7-18-10-12-20(13-11-18)22-9-6-5-8-19(22)14-15-21-16-17-23(25)27-24(21)26/h5-6,8-9,16-18,20H,2-4,7,10-15H2,1H3
InChIKeyOTKIDAQJNAVWRQ-UHFFFAOYSA-N
XLogP7.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-cyclopropyl-2-hexylbenzene
CID 172995295
1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,6-difluoropyridine
CID 19765404
1-(4-pentylcyclohexyl)-4-propyl-2,3-bis(trifluoromethyl)benzene
CID 20750880
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
CID 154421706
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
CID 139911130
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
2-(2-fluorophenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837197
1-cyclohexyl-2-heptylbenzene
CID 154399814
7-(4-butylcyclohexyl)-3-[2-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]ethyl]-1,2,8-trifluorobiphenylene
CID 134465173

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine (CID 67924020) is 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine is CCCCCC1CCC(c2ccccc2CCc2ccc(F)nc2F)CC1.
What is the InChIKey of 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine?
The InChIKey is OTKIDAQJNAVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N/c1-2-3-4-7-18-10-12-20(13-11-18)22-9-6-5-8-19(22)14-15-21-16-17-23(25)27-24(21)26/h5-6,8-9,16-18,20H,2-4,7,10-15H2,1H3.
What are the key properties of 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine?
2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine has a molecular weight of 371.52 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 67924020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).