2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine

C24H32FN — CID 19765579

IUPAC2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3)cc2)CC1
InChIInChI=1S/C24H32FN/c1-3-4-5-6-19-7-9-20(10-8-19)18(2)21-11-13-22(14-12-21)23-15-16-24(25)26-17-23/h11-20H,3-10H2,1-2H3
InChIKeyNTXXZNDOTCMJMO-UHFFFAOYSA-N
MW353.53 g/mol
LogP7.38
Rot. Bonds7

About 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine

2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 19765579) has the molecular formula C24H32FN and a molecular weight of 353.53 g/mol. Its IUPAC name is 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID19765579
Molecular FormulaC24H32FN
Molecular Weight353.53 g/mol
Exact Mass353.25
IUPAC Name2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3)cc2)CC1
InChIInChI=1S/C24H32FN/c1-3-4-5-6-19-7-9-20(10-8-19)18(2)21-11-13-22(14-12-21)23-15-16-24(25)26-17-23/h11-20H,3-10H2,1-2H3
InChIKeyNTXXZNDOTCMJMO-UHFFFAOYSA-N
XLogP7.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.53
LogP ≤ 57.38
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

5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
CID 19765560
5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
CID 19765398
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
1-isothiocyanato-4-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 88597674
2-chloro-4-(3,4-difluorophenyl)-1-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 54366134
1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 19846736
5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine
CID 58862882
1-(4-ethylphenyl)-2,3-difluoro-4-[1-(4-octylcyclohexyl)ethyl]benzene
CID 67895843
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 173303525
3-[4-[1-(4-ethylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine
CID 19765443
5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine (CID 19765579) is 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine is CCCCCC1CCC(C(C)c2ccc(-c3ccc(F)nc3)cc2)CC1.
What is the InChIKey of 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is NTXXZNDOTCMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN/c1-3-4-5-6-19-7-9-20(10-8-19)18(2)21-11-13-22(14-12-21)23-15-16-24(25)26-17-23/h11-20H,3-10H2,1-2H3.
What are the key properties of 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine?
2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 353.53 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 19765579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).