5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine

C8H8F3NO — CID 130080552

IUPAC5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
SMILESCOc1nc(F)c(C)cc1C(F)F
InChIInChI=1S/C8H8F3NO/c1-4-3-5(6(9)10)8(13-2)12-7(4)11/h3,6H,1-2H3
InChIKeyAOSHCCYOUJRMHY-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.48
Rot. Bonds2

About 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine

5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine (PubChem CID 130080552) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
PubChem CID130080552
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
SMILESCOc1nc(F)c(C)cc1C(F)F
InChIInChI=1S/C8H8F3NO/c1-4-3-5(6(9)10)8(13-2)12-7(4)11/h3,6H,1-2H3
InChIKeyAOSHCCYOUJRMHY-UHFFFAOYSA-N
XLogP2.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine 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 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine (CID 130080552) is 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine is COc1nc(F)c(C)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine?
The InChIKey is AOSHCCYOUJRMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-3-5(6(9)10)8(13-2)12-7(4)11/h3,6H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine?
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine has a molecular weight of 191.15 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine is sourced from PubChem (CID 130080552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).