2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine

C23H28F3N — CID 67688098

IUPAC2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
SMILESCCCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H28F3N/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-12-20(21(24)13-18)19-14-22(25)23(26)27-15-19/h11-17H,2-10H2,1H3
InChIKeyVNVHAJODELKNEA-UHFFFAOYSA-N
MW375.48 g/mol
LogP7.41
Rot. Bonds7

About 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine

2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine (PubChem CID 67688098) has the molecular formula C23H28F3N and a molecular weight of 375.48 g/mol. Its IUPAC name is 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
PubChem CID67688098
Molecular FormulaC23H28F3N
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine
SMILESCCCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H28F3N/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-12-20(21(24)13-18)19-14-22(25)23(26)27-15-19/h11-17H,2-10H2,1H3
InChIKeyVNVHAJODELKNEA-UHFFFAOYSA-N
XLogP7.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 57.41
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

2,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 67688057
5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]-2-(trifluoromethyl)pyridine
CID 19765365
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
2-(3,4-difluorophenyl)-5-[4-(4-nonylcyclohexyl)phenyl]pyrimidine
CID 18650816
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine?
The IUPAC name of 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine (CID 67688098) is 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine is CCCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine?
The InChIKey is VNVHAJODELKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-12-20(21(24)13-18)19-14-22(25)23(26)27-15-19/h11-17H,2-10H2,1H3.
What are the key properties of 2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine?
2,3-difluoro-5-[2-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine has a molecular weight of 375.48 g/mol, XLogP of 7.41, 7 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-fluoro-4-(4-hexylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 67688098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).