2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine

C33H50FNO — CID 19101182

IUPAC2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCC)cc3F)nc2)CC1
InChIInChI=1S/C33H50FNO/c1-3-5-7-9-10-11-13-15-27-16-18-28(19-17-27)29-20-23-33(35-26-29)31-22-21-30(25-32(31)34)36-24-14-12-8-6-4-2/h20-23,25-28H,3-19,24H2,1-2H3
InChIKeyABGGSXFOYWOLGD-UHFFFAOYSA-N
MW495.77 g/mol
LogP10.65
Rot. Bonds17

About 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine

2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine (PubChem CID 19101182) has the molecular formula C33H50FNO and a molecular weight of 495.77 g/mol. Its IUPAC name is 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
PubChem CID19101182
Molecular FormulaC33H50FNO
Molecular Weight495.77 g/mol
Exact Mass495.39
IUPAC Name2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCC)cc3F)nc2)CC1
InChIInChI=1S/C33H50FNO/c1-3-5-7-9-10-11-13-15-27-16-18-28(19-17-27)29-20-23-33(35-26-29)31-22-21-30(25-32(31)34)36-24-14-12-8-6-4-2/h20-23,25-28H,3-19,24H2,1-2H3
InChIKeyABGGSXFOYWOLGD-UHFFFAOYSA-N
XLogP10.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.77
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19101303
2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine
CID 19101227
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
3-(4-butoxy-2-fluorophenyl)-6-[2-(4-pentylcyclohexyl)ethyl]pyridazine
CID 139779121

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine (CID 19101182) is 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine is CCCCCCCCCC1CCC(c2ccc(-c3ccc(OCCCCCCC)cc3F)nc2)CC1.
What is the InChIKey of 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine?
The InChIKey is ABGGSXFOYWOLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50FNO/c1-3-5-7-9-10-11-13-15-27-16-18-28(19-17-27)29-20-23-33(35-26-29)31-22-21-30(25-32(31)34)36-24-14-12-8-6-4-2/h20-23,25-28H,3-19,24H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine?
2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine has a molecular weight of 495.77 g/mol, XLogP of 10.65, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-heptoxyphenyl)-5-(4-nonylcyclohexyl)pyridine is sourced from PubChem (CID 19101182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).