2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine

C24H37F2N — CID 23190634

IUPAC2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
SMILESCCCCCC1CCC(C2CCC(CCc3cnc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H37F2N/c1-2-3-4-5-18-8-12-21(13-9-18)22-14-10-19(11-15-22)6-7-20-16-23(25)24(26)27-17-20/h16-19,21-22H,2-15H2,1H3
InChIKeySBBCKRPKMAYQBG-UHFFFAOYSA-N
MW377.56 g/mol
LogP7.49
Rot. Bonds8

About 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine

2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine (PubChem CID 23190634) has the molecular formula C24H37F2N and a molecular weight of 377.56 g/mol. Its IUPAC name is 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine.

Molecular Properties

Compound Name2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
PubChem CID23190634
Molecular FormulaC24H37F2N
Molecular Weight377.56 g/mol
Exact Mass377.29
IUPAC Name2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine
SMILESCCCCCC1CCC(C2CCC(CCc3cnc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H37F2N/c1-2-3-4-5-18-8-12-21(13-9-18)22-14-10-19(11-15-22)6-7-20-16-23(25)24(26)27-17-20/h16-19,21-22H,2-15H2,1H3
InChIKeySBBCKRPKMAYQBG-UHFFFAOYSA-N
XLogP7.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 57.49
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

4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2,6-difluorobenzonitrile
CID 67895957
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
5-ethyl-2-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839728
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267
5-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2,3-difluoropyridine
CID 23190532
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2-fluorobenzonitrile
CID 67894337
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 20653978
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl]benzene
CID 20654014
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine?
The IUPAC name of 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine (CID 23190634) is 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine.
What is the SMILES notation for 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine?
The canonical SMILES for 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine is CCCCCC1CCC(C2CCC(CCc3cnc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine?
The InChIKey is SBBCKRPKMAYQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F2N/c1-2-3-4-5-18-8-12-21(13-9-18)22-14-10-19(11-15-22)6-7-20-16-23(25)24(26)27-17-20/h16-19,21-22H,2-15H2,1H3.
What are the key properties of 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine?
2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine has a molecular weight of 377.56 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]pyridine is sourced from PubChem (CID 23190634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).