3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide

C26H20Cl2N4O3Se — CID 159498738

IUPAC3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide
SMILESC=Cc1cnc(-c2ccc(C)nc2)c(Cl)c1.C=Cc1cnc(-c2ccc(C=O)nc2)c(Cl)c1.O=[Se]=O
InChIInChI=1S/C13H9ClN2O.C13H11ClN2.O2Se/c1-2-9-5-12(14)13(16-6-9)10-3-4-11(8-17)15-7-10;1-3-10-6-12(14)13(16-7-10)11-5-4-9(2)15-8-11;1-3-2/h2-8H,1H2;3-8H,1H2,2H3;
InChIKeyLZCOJMZCWQMHFE-UHFFFAOYSA-N
MW586.34 g/mol
LogP6.38
Rot. Bonds5

About 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide

3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide (PubChem CID 159498738) has the molecular formula C26H20Cl2N4O3Se and a molecular weight of 586.34 g/mol. Its IUPAC name is 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide.

Molecular Properties

Compound Name3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide
PubChem CID159498738
Molecular FormulaC26H20Cl2N4O3Se
Molecular Weight586.34 g/mol
Exact Mass586.01
IUPAC Name3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide
SMILESC=Cc1cnc(-c2ccc(C)nc2)c(Cl)c1.C=Cc1cnc(-c2ccc(C=O)nc2)c(Cl)c1.O=[Se]=O
InChIInChI=1S/C13H9ClN2O.C13H11ClN2.O2Se/c1-2-9-5-12(14)13(16-6-9)10-3-4-11(8-17)15-7-10;1-3-10-6-12(14)13(16-7-10)11-5-4-9(2)15-8-11;1-3-2/h2-8H,1H2;3-8H,1H2,2H3;
InChIKeyLZCOJMZCWQMHFE-UHFFFAOYSA-N
XLogP6.38
TPSA102.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.34
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[(6-Chloro-3-pyridinyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385587
[4-[(5-Chloro-2-pyridinyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385759
5,5',5''-(Benzene-1,3,5-triyl)tripicolinaldehyde
CID 102218697
4-Chlorophenyl-2-pyridyl ketone
CID 140304182
5-Chloro-6'-(trifluoromethyl)-2,3'-bipyridine-6-carbaldehyde
CID 86671312
Azane;3-chloro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridine-2-carbaldehyde
CID 88938063
3-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbaldehyde;N-methyl-4-piperidin-1-ylpyridin-3-amine
CID 145468565
2-Chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 157131465
1-[4-Methyl-5-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]propan-1-one
CID 159275223
2-Chloro-5-fluoropyridine-3-carbaldehyde;2-chloro-6-methylpyridine-3-carbaldehyde;2-chloro-5-phenylpyridine-3-carbaldehyde;2-chloropyridine-3-carbaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde;2,5-dichloropyridine-3-carbaldehyde
CID 160429570
5,5'-([2,2'-Bipyridine]-5,5'-diylbis(ethane-2,1-diyl))dipicolinaldehyde
CID 53389305
[3,3':6',2'':5'',3'''-Quaterpyridine]-6,6'''-dicarbaldehyde
CID 90656963

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide?
The IUPAC name of 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide (CID 159498738) is 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide.
What is the SMILES notation for 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide?
The canonical SMILES for 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide is C=Cc1cnc(-c2ccc(C)nc2)c(Cl)c1.C=Cc1cnc(-c2ccc(C=O)nc2)c(Cl)c1.O=[Se]=O.
What is the InChIKey of 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide?
The InChIKey is LZCOJMZCWQMHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O.C13H11ClN2.O2Se/c1-2-9-5-12(14)13(16-6-9)10-3-4-11(8-17)15-7-10;1-3-10-6-12(14)13(16-7-10)11-5-4-9(2)15-8-11;1-3-2/h2-8H,1H2;3-8H,1H2,2H3;.
What are the key properties of 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide?
3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide has a molecular weight of 586.34 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide is sourced from PubChem (CID 159498738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).