3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine

C32H48FNO — CID 19046964

IUPAC3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)nc1F
InChIInChI=1S/C32H48FNO/c1-3-5-7-8-9-10-11-13-25-35-31-24-23-30(34-32(31)33)29-21-19-28(20-22-29)27-17-15-26(16-18-27)14-12-6-4-2/h19-24,26-27H,3-18,25H2,1-2H3
InChIKeyXGRIDRCELWHAKS-UHFFFAOYSA-N
MW481.74 g/mol
LogP10.26
Rot. Bonds16

About 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine

3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine (PubChem CID 19046964) has the molecular formula C32H48FNO and a molecular weight of 481.74 g/mol. Its IUPAC name is 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine
PubChem CID19046964
Molecular FormulaC32H48FNO
Molecular Weight481.74 g/mol
Exact Mass481.37
IUPAC Name3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)nc1F
InChIInChI=1S/C32H48FNO/c1-3-5-7-8-9-10-11-13-25-35-31-24-23-30(34-32(31)33)29-21-19-28(20-22-29)27-17-15-26(16-18-27)14-12-6-4-2/h19-24,26-27H,3-18,25H2,1-2H3
InChIKeyXGRIDRCELWHAKS-UHFFFAOYSA-N
XLogP10.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.74
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine?
The IUPAC name of 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine (CID 19046964) is 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine is CCCCCCCCCCOc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)nc1F.
What is the InChIKey of 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine?
The InChIKey is XGRIDRCELWHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48FNO/c1-3-5-7-8-9-10-11-13-25-35-31-24-23-30(34-32(31)33)29-21-19-28(20-22-29)27-17-15-26(16-18-27)14-12-6-4-2/h19-24,26-27H,3-18,25H2,1-2H3.
What are the key properties of 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine?
3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine has a molecular weight of 481.74 g/mol, XLogP of 10.26, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-2-fluoro-6-[4-(4-pentylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 19046964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).