2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine

C14H20FNO — CID 20591687

IUPAC2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine
SMILESCOCc1ccc(C2CCC(C)CC2)c(F)n1
InChIInChI=1S/C14H20FNO/c1-10-3-5-11(6-4-10)13-8-7-12(9-17-2)16-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyWREGDFISVSTVGN-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.66
Rot. Bonds3

About 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine

2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine (PubChem CID 20591687) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine
PubChem CID20591687
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine
SMILESCOCc1ccc(C2CCC(C)CC2)c(F)n1
InChIInChI=1S/C14H20FNO/c1-10-3-5-11(6-4-10)13-8-7-12(9-17-2)16-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyWREGDFISVSTVGN-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.66
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 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine?
The IUPAC name of 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine (CID 20591687) is 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine?
The canonical SMILES for 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine is COCc1ccc(C2CCC(C)CC2)c(F)n1.
What is the InChIKey of 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine?
The InChIKey is WREGDFISVSTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-3-5-11(6-4-10)13-8-7-12(9-17-2)16-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine?
2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine has a molecular weight of 237.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(methoxymethyl)-3-(4-methylcyclohexyl)pyridine is sourced from PubChem (CID 20591687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).