5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine

C12H5F6NO — CID 133088677

IUPAC5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESCOc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cn1
InChIInChI=1S/C12H5F6NO/c1-20-6-2-4(5(13)3-19-6)7-8(14)10(16)12(18)11(17)9(7)15/h2-3H,1H3
InChIKeyMGNBQYPLNCWEKV-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.59
Rot. Bonds2

About 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine

5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine (PubChem CID 133088677) has the molecular formula C12H5F6NO and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
PubChem CID133088677
Molecular FormulaC12H5F6NO
Molecular Weight293.17 g/mol
Exact Mass293.03
IUPAC Name5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESCOc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cn1
InChIInChI=1S/C12H5F6NO/c1-20-6-2-4(5(13)3-19-6)7-8(14)10(16)12(18)11(17)9(7)15/h2-3H,1H3
InChIKeyMGNBQYPLNCWEKV-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)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 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
The IUPAC name of 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine (CID 133088677) is 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine is COc1cc(-c2c(F)c(F)c(F)c(F)c2F)c(F)cn1.
What is the InChIKey of 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
The InChIKey is MGNBQYPLNCWEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6NO/c1-20-6-2-4(5(13)3-19-6)7-8(14)10(16)12(18)11(17)9(7)15/h2-3H,1H3.
What are the key properties of 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine has a molecular weight of 293.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine is sourced from PubChem (CID 133088677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).