6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide

C28H26F2N2O3Se — CID 158003196

IUPAC6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide
SMILESCc1cccc(C)c1-c1ccc(F)c(C)n1.Cc1cccc(C)c1-c1ccc(F)c(C=O)n1.O=[Se]=O
InChIInChI=1S/C14H12FNO.C14H14FN.O2Se/c1-9-4-3-5-10(2)14(9)12-7-6-11(15)13(8-17)16-12;1-9-5-4-6-10(2)14(9)13-8-7-12(15)11(3)16-13;1-3-2/h3-8H,1-2H3;4-8H,1-3H3;
InChIKeyFDZBKXXJBAEXLN-UHFFFAOYSA-N
MW555.48 g/mol
LogP6.51
Rot. Bonds3

About 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide

6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide (PubChem CID 158003196) has the molecular formula C28H26F2N2O3Se and a molecular weight of 555.48 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide
PubChem CID158003196
Molecular FormulaC28H26F2N2O3Se
Molecular Weight555.48 g/mol
Exact Mass556.11
IUPAC Name6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide
SMILESCc1cccc(C)c1-c1ccc(F)c(C)n1.Cc1cccc(C)c1-c1ccc(F)c(C=O)n1.O=[Se]=O
InChIInChI=1S/C14H12FNO.C14H14FN.O2Se/c1-9-4-3-5-10(2)14(9)12-7-6-11(15)13(8-17)16-12;1-9-5-4-6-10(2)14(9)13-8-7-12(15)11(3)16-13;1-3-2/h3-8H,1-2H3;4-8H,1-3H3;
InChIKeyFDZBKXXJBAEXLN-UHFFFAOYSA-N
XLogP6.51
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.48
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide?
The IUPAC name of 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide (CID 158003196) is 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide?
The canonical SMILES for 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide is Cc1cccc(C)c1-c1ccc(F)c(C)n1.Cc1cccc(C)c1-c1ccc(F)c(C=O)n1.O=[Se]=O.
What is the InChIKey of 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide?
The InChIKey is FDZBKXXJBAEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO.C14H14FN.O2Se/c1-9-4-3-5-10(2)14(9)12-7-6-11(15)13(8-17)16-12;1-9-5-4-6-10(2)14(9)13-8-7-12(15)11(3)16-13;1-3-2/h3-8H,1-2H3;4-8H,1-3H3;.
What are the key properties of 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide?
6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide has a molecular weight of 555.48 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-3-fluoro-2-methylpyridine;6-(2,6-dimethylphenyl)-3-fluoropyridine-2-carbaldehyde;selenium dioxide is sourced from PubChem (CID 158003196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).