ethane;2-fluoro-4-(methoxymethyl)pyridine

C9H14FNO — CID 169168193

IUPACethane;2-fluoro-4-(methoxymethyl)pyridine
SMILESCC.COCc1ccnc(F)c1
InChIInChI=1S/C7H8FNO.C2H6/c1-10-5-6-2-3-9-7(8)4-6;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyWRNPHYRMAMRAFS-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.39
Rot. Bonds2

About ethane;2-fluoro-4-(methoxymethyl)pyridine

ethane;2-fluoro-4-(methoxymethyl)pyridine (PubChem CID 169168193) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is ethane;2-fluoro-4-(methoxymethyl)pyridine.

Molecular Properties

Compound Nameethane;2-fluoro-4-(methoxymethyl)pyridine
PubChem CID169168193
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Nameethane;2-fluoro-4-(methoxymethyl)pyridine
SMILESCC.COCc1ccnc(F)c1
InChIInChI=1S/C7H8FNO.C2H6/c1-10-5-6-2-3-9-7(8)4-6;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyWRNPHYRMAMRAFS-UHFFFAOYSA-N
XLogP2.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-fluoro-4-(methoxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-(methoxymethyl)pyridine?
The IUPAC name of ethane;2-fluoro-4-(methoxymethyl)pyridine (CID 169168193) is ethane;2-fluoro-4-(methoxymethyl)pyridine.
What is the SMILES notation for ethane;2-fluoro-4-(methoxymethyl)pyridine?
The canonical SMILES for ethane;2-fluoro-4-(methoxymethyl)pyridine is CC.COCc1ccnc(F)c1.
What is the InChIKey of ethane;2-fluoro-4-(methoxymethyl)pyridine?
The InChIKey is WRNPHYRMAMRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.C2H6/c1-10-5-6-2-3-9-7(8)4-6;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;2-fluoro-4-(methoxymethyl)pyridine?
ethane;2-fluoro-4-(methoxymethyl)pyridine has a molecular weight of 171.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-(methoxymethyl)pyridine is sourced from PubChem (CID 169168193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).