1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde

C14H13NOSe — CID 134913936

IUPAC1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde
SMILESCc1ccc(Cn2cccc(C=O)c2=[Se])cc1
InChIInChI=1S/C14H13NOSe/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(10-16)14(15)17/h2-8,10H,9H2,1H3
InChIKeyVJGOMNIKONJXAQ-UHFFFAOYSA-N
MW290.22 g/mol
LogP2.36
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde

1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde (PubChem CID 134913936) has the molecular formula C14H13NOSe and a molecular weight of 290.22 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde
PubChem CID134913936
Molecular FormulaC14H13NOSe
Molecular Weight290.22 g/mol
Exact Mass291.02
IUPAC Name1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde
SMILESCc1ccc(Cn2cccc(C=O)c2=[Se])cc1
InChIInChI=1S/C14H13NOSe/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(10-16)14(15)17/h2-8,10H,9H2,1H3
InChIKeyVJGOMNIKONJXAQ-UHFFFAOYSA-N
XLogP2.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde (CID 134913936) is 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde is Cc1ccc(Cn2cccc(C=O)c2=[Se])cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde?
The InChIKey is VJGOMNIKONJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOSe/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(10-16)14(15)17/h2-8,10H,9H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde?
1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde has a molecular weight of 290.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-selanylidenepyridine-3-carbaldehyde is sourced from PubChem (CID 134913936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).