ethane;2-fluoro-4-methoxy-5-methylpyridine

C9H14FNO — CID 170582944

IUPACethane;2-fluoro-4-methoxy-5-methylpyridine
SMILESCC.COc1cc(F)ncc1C
InChIInChI=1S/C7H8FNO.C2H6/c1-5-4-9-7(8)3-6(5)10-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWACRGAQLVLVAAP-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.56
Rot. Bonds1

About ethane;2-fluoro-4-methoxy-5-methylpyridine

ethane;2-fluoro-4-methoxy-5-methylpyridine (PubChem CID 170582944) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is ethane;2-fluoro-4-methoxy-5-methylpyridine.

Molecular Properties

Compound Nameethane;2-fluoro-4-methoxy-5-methylpyridine
PubChem CID170582944
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Nameethane;2-fluoro-4-methoxy-5-methylpyridine
SMILESCC.COc1cc(F)ncc1C
InChIInChI=1S/C7H8FNO.C2H6/c1-5-4-9-7(8)3-6(5)10-2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWACRGAQLVLVAAP-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.56
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 ethane;2-fluoro-4-methoxy-5-methylpyridine?
The IUPAC name of ethane;2-fluoro-4-methoxy-5-methylpyridine (CID 170582944) is ethane;2-fluoro-4-methoxy-5-methylpyridine.
What is the SMILES notation for ethane;2-fluoro-4-methoxy-5-methylpyridine?
The canonical SMILES for ethane;2-fluoro-4-methoxy-5-methylpyridine is CC.COc1cc(F)ncc1C.
What is the InChIKey of ethane;2-fluoro-4-methoxy-5-methylpyridine?
The InChIKey is WACRGAQLVLVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO.C2H6/c1-5-4-9-7(8)3-6(5)10-2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-4-methoxy-5-methylpyridine?
ethane;2-fluoro-4-methoxy-5-methylpyridine has a molecular weight of 171.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-methoxy-5-methylpyridine is sourced from PubChem (CID 170582944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).