2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine

C18H18N3OP — CID 58106663

IUPAC2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine
SMILESCc1cccc(P(=O)(c2cccc(C)n2)c2cccc(C)n2)n1
InChIInChI=1S/C18H18N3OP/c1-13-7-4-10-16(19-13)23(22,17-11-5-8-14(2)20-17)18-12-6-9-15(3)21-18/h4-12H,1-3H3
InChIKeyVXUZWFSCCNBRII-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.44
Rot. Bonds3

About 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine

2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine (PubChem CID 58106663) has the molecular formula C18H18N3OP and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine.

Molecular Properties

Compound Name2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine
PubChem CID58106663
Molecular FormulaC18H18N3OP
Molecular Weight323.34 g/mol
Exact Mass323.12
IUPAC Name2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine
SMILESCc1cccc(P(=O)(c2cccc(C)n2)c2cccc(C)n2)n1
InChIInChI=1S/C18H18N3OP/c1-13-7-4-10-16(19-13)23(22,17-11-5-8-14(2)20-17)18-12-6-9-15(3)21-18/h4-12H,1-3H3
InChIKeyVXUZWFSCCNBRII-UHFFFAOYSA-N
XLogP2.44
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine?
The IUPAC name of 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine (CID 58106663) is 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine.
What is the SMILES notation for 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine?
The canonical SMILES for 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine is Cc1cccc(P(=O)(c2cccc(C)n2)c2cccc(C)n2)n1.
What is the InChIKey of 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine?
The InChIKey is VXUZWFSCCNBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3OP/c1-13-7-4-10-16(19-13)23(22,17-11-5-8-14(2)20-17)18-12-6-9-15(3)21-18/h4-12H,1-3H3.
What are the key properties of 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine?
2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine has a molecular weight of 323.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(6-methyl-2-pyridinyl)phosphoryl]-6-methylpyridine is sourced from PubChem (CID 58106663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).