2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine

C14H16N2Se2 — CID 175679349

IUPAC2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine
SMILESCc1cnc([Se][Se]c2ncc(C)cc2C)c(C)c1
InChIInChI=1S/C14H16N2Se2/c1-9-5-11(3)13(15-7-9)17-18-14-12(4)6-10(2)8-16-14/h5-8H,1-4H3
InChIKeyMRJQYDSMXCWHSS-UHFFFAOYSA-N
MW370.22 g/mol
LogP0.98
Rot. Bonds3

About 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine

2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine (PubChem CID 175679349) has the molecular formula C14H16N2Se2 and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine
PubChem CID175679349
Molecular FormulaC14H16N2Se2
Molecular Weight370.22 g/mol
Exact Mass371.96
IUPAC Name2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine
SMILESCc1cnc([Se][Se]c2ncc(C)cc2C)c(C)c1
InChIInChI=1S/C14H16N2Se2/c1-9-5-11(3)13(15-7-9)17-18-14-12(4)6-10(2)8-16-14/h5-8H,1-4H3
InChIKeyMRJQYDSMXCWHSS-UHFFFAOYSA-N
XLogP0.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine?
The IUPAC name of 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine (CID 175679349) is 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine.
What is the SMILES notation for 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine?
The canonical SMILES for 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine is Cc1cnc([Se][Se]c2ncc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine?
The InChIKey is MRJQYDSMXCWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2Se2/c1-9-5-11(3)13(15-7-9)17-18-14-12(4)6-10(2)8-16-14/h5-8H,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine?
2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine has a molecular weight of 370.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-2-pyridinyl)diselanyl]-3,5-dimethylpyridine is sourced from PubChem (CID 175679349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).