2,6-dimethylpyridine;molecular iodine;triphenylphosphane

C25H24I2NP — CID 131723185

IUPAC2,6-dimethylpyridine;molecular iodine;triphenylphosphane
SMILESCc1cccc(C)n1.II.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H9N.I2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-3-5-7(2)8-6;1-2/h1-15H;3-5H,1-2H3;
InChIKeyHHEXURHONKCOKK-UHFFFAOYSA-N
MW623.26 g/mol
LogP6.91
Rot. Bonds3

About 2,6-dimethylpyridine;molecular iodine;triphenylphosphane

2,6-dimethylpyridine;molecular iodine;triphenylphosphane (PubChem CID 131723185) has the molecular formula C25H24I2NP and a molecular weight of 623.26 g/mol. Its IUPAC name is 2,6-dimethylpyridine;molecular iodine;triphenylphosphane.

Molecular Properties

Compound Name2,6-dimethylpyridine;molecular iodine;triphenylphosphane
PubChem CID131723185
Molecular FormulaC25H24I2NP
Molecular Weight623.26 g/mol
Exact Mass622.97
IUPAC Name2,6-dimethylpyridine;molecular iodine;triphenylphosphane
SMILESCc1cccc(C)n1.II.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H9N.I2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-3-5-7(2)8-6;1-2/h1-15H;3-5H,1-2H3;
InChIKeyHHEXURHONKCOKK-UHFFFAOYSA-N
XLogP6.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.26
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;molecular iodine;triphenylphosphane?
The IUPAC name of 2,6-dimethylpyridine;molecular iodine;triphenylphosphane (CID 131723185) is 2,6-dimethylpyridine;molecular iodine;triphenylphosphane.
What is the SMILES notation for 2,6-dimethylpyridine;molecular iodine;triphenylphosphane?
The canonical SMILES for 2,6-dimethylpyridine;molecular iodine;triphenylphosphane is Cc1cccc(C)n1.II.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,6-dimethylpyridine;molecular iodine;triphenylphosphane?
The InChIKey is HHEXURHONKCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C7H9N.I2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-3-5-7(2)8-6;1-2/h1-15H;3-5H,1-2H3;.
What are the key properties of 2,6-dimethylpyridine;molecular iodine;triphenylphosphane?
2,6-dimethylpyridine;molecular iodine;triphenylphosphane has a molecular weight of 623.26 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine;molecular iodine;triphenylphosphane is sourced from PubChem (CID 131723185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).