3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine

C22H34FNO — CID 139886254

IUPAC3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine
SMILESCCCC1CCC(C2CCC(c3ccc(OCC)c(F)n3)CC2)CC1
InChIInChI=1S/C22H34FNO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(25-4-2)22(23)24-20/h14-19H,3-13H2,1-2H3
InChIKeyNJLNDWHZDBIFCG-UHFFFAOYSA-N
MW347.52 g/mol
LogP6.50
Rot. Bonds6

About 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine

3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine (PubChem CID 139886254) has the molecular formula C22H34FNO and a molecular weight of 347.52 g/mol. Its IUPAC name is 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine.

Molecular Properties

Compound Name3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine
PubChem CID139886254
Molecular FormulaC22H34FNO
Molecular Weight347.52 g/mol
Exact Mass347.26
IUPAC Name3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine
SMILESCCCC1CCC(C2CCC(c3ccc(OCC)c(F)n3)CC2)CC1
InChIInChI=1S/C22H34FNO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(25-4-2)22(23)24-20/h14-19H,3-13H2,1-2H3
InChIKeyNJLNDWHZDBIFCG-UHFFFAOYSA-N
XLogP6.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine?
The IUPAC name of 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine (CID 139886254) is 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine.
What is the SMILES notation for 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine?
The canonical SMILES for 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine is CCCC1CCC(C2CCC(c3ccc(OCC)c(F)n3)CC2)CC1.
What is the InChIKey of 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine?
The InChIKey is NJLNDWHZDBIFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(25-4-2)22(23)24-20/h14-19H,3-13H2,1-2H3.
What are the key properties of 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine?
3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine has a molecular weight of 347.52 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine is sourced from PubChem (CID 139886254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).