2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol

C24H27FINO3 — CID 175903192

About 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol

2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol (PubChem CID 175903192) has the molecular formula C24H27FINO3 and a molecular weight of 523.39 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol
• PubChem CID: 175903192
• Molecular Formula: C24H27FINO3
• Molecular Weight: 523.39 g/mol
• Exact Mass: 523.10
• IUPAC Name: 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol
• SMILES: COC1=C(I)CN(C)C=C1c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C
• InChI: InChI=1S/C24H27FINO3/c1-14-9-17(25)10-15(2)22(14)30-21-8-7-16(24(3,4)28)11-18(21)19-12-27(5)13-20(26)23(19)29-6/h7-12,28H,13H2,1-6H3
• InChIKey: YUDMROKCNIKGGW-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.39
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol?

The IUPAC name of 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol (CID 175903192) is 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol.

What is the SMILES notation for 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol?

The canonical SMILES for 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol is COC1=C(I)CN(C)C=C1c1cc(C(C)(C)O)ccc1Oc1c(C)cc(F)cc1C.

What is the InChIKey of 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol?

The InChIKey is YUDMROKCNIKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FINO3/c1-14-9-17(25)10-15(2)22(14)30-21-8-7-16(24(3,4)28)11-18(21)19-12-27(5)13-20(26)23(19)29-6/h7-12,28H,13H2,1-6H3.

What are the key properties of 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol?

2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol has a molecular weight of 523.39 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-iodo-4-methoxy-1-methyl-2H-pyridin-5-yl)phenyl]propan-2-ol is sourced from PubChem (CID 175903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).