2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine

C27H38FN — CID 19859688

IUPAC2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(CCC)cc3F)nc2)CC1
InChIInChI=1S/C27H38FN/c1-3-5-6-7-8-10-21-11-14-23(15-12-21)24-16-18-27(29-20-24)25-17-13-22(9-4-2)19-26(25)28/h13,16-21,23H,3-12,14-15H2,1-2H3
InChIKeyIJOBFGZSYXYMTF-UHFFFAOYSA-N
MW395.61 g/mol
LogP8.47
Rot. Bonds10

About 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine

2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine (PubChem CID 19859688) has the molecular formula C27H38FN and a molecular weight of 395.61 g/mol. Its IUPAC name is 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
PubChem CID19859688
Molecular FormulaC27H38FN
Molecular Weight395.61 g/mol
Exact Mass395.30
IUPAC Name2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
SMILESCCCCCCCC1CCC(c2ccc(-c3ccc(CCC)cc3F)nc2)CC1
InChIInChI=1S/C27H38FN/c1-3-5-6-7-8-10-21-11-14-23(15-12-21)24-16-18-27(29-20-24)25-17-13-22(9-4-2)19-26(25)28/h13,16-21,23H,3-12,14-15H2,1-2H3
InChIKeyIJOBFGZSYXYMTF-UHFFFAOYSA-N
XLogP8.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.61
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
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
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
CID 18638393
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
3-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-hexoxypyridazine
CID 139779043
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858
3-(4-ethyl-2-fluorophenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778517

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine (CID 19859688) is 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine is CCCCCCCC1CCC(c2ccc(-c3ccc(CCC)cc3F)nc2)CC1.
What is the InChIKey of 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine?
The InChIKey is IJOBFGZSYXYMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN/c1-3-5-6-7-8-10-21-11-14-23(15-12-21)24-16-18-27(29-20-24)25-17-13-22(9-4-2)19-26(25)28/h13,16-21,23H,3-12,14-15H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine?
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine has a molecular weight of 395.61 g/mol, XLogP of 8.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine is sourced from PubChem (CID 19859688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).