2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine

C21H26FNO — CID 19101227

IUPAC2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cn2)c(F)c1
InChIInChI=1S/C21H26FNO/c1-3-15-5-7-16(8-6-15)17-9-12-21(23-14-17)19-11-10-18(24-4-2)13-20(19)22/h9-16H,3-8H2,1-2H3
InChIKeySHXUFQXOXVIKNE-UHFFFAOYSA-N
MW327.44 g/mol
LogP5.97
Rot. Bonds5

About 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine

2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine (PubChem CID 19101227) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine
PubChem CID19101227
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cn2)c(F)c1
InChIInChI=1S/C21H26FNO/c1-3-15-5-7-16(8-6-15)17-9-12-21(23-14-17)19-11-10-18(24-4-2)13-20(19)22/h9-16H,3-8H2,1-2H3
InChIKeySHXUFQXOXVIKNE-UHFFFAOYSA-N
XLogP5.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
5-(4-butylcyclohexyl)-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]pyridine
CID 19101330
2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-5-(4-pentylcyclohexyl)pyridine
CID 19101308
2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine
CID 19839599
2-(2-fluoro-4-hexylphenyl)-5-(4-hexylcyclohexyl)pyridine
CID 19859815
2-(2-fluoro-4-propylphenyl)-5-(4-heptylcyclohexyl)pyridine
CID 19859688
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
4-[5-(4-ethylcyclohexyl)-2-pyridinyl]-2-fluorobenzonitrile
CID 139818205
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383432

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine?
The IUPAC name of 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine (CID 19101227) is 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine.
What is the SMILES notation for 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine?
The canonical SMILES for 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine is CCOc1ccc(-c2ccc(C3CCC(CC)CC3)cn2)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine?
The InChIKey is SHXUFQXOXVIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-3-15-5-7-16(8-6-15)17-9-12-21(23-14-17)19-11-10-18(24-4-2)13-20(19)22/h9-16H,3-8H2,1-2H3.
What are the key properties of 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine?
2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine has a molecular weight of 327.44 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-fluorophenyl)-5-(4-ethylcyclohexyl)pyridine is sourced from PubChem (CID 19101227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).