4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine

C18H17N2O3P — CID 102459192

IUPAC4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine
SMILESCOP(=O)(OC)c1ccc(-c2ccnc(-c3ccccn3)c2)cc1
InChIInChI=1S/C18H17N2O3P/c1-22-24(21,23-2)16-8-6-14(7-9-16)15-10-12-20-18(13-15)17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyZKPADWQLKRNGQG-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.92
Rot. Bonds5

About 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine

4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine (PubChem CID 102459192) has the molecular formula C18H17N2O3P and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine
PubChem CID102459192
Molecular FormulaC18H17N2O3P
Molecular Weight340.32 g/mol
Exact Mass340.10
IUPAC Name4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine
SMILESCOP(=O)(OC)c1ccc(-c2ccnc(-c3ccccn3)c2)cc1
InChIInChI=1S/C18H17N2O3P/c1-22-24(21,23-2)16-8-6-14(7-9-16)15-10-12-20-18(13-15)17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyZKPADWQLKRNGQG-UHFFFAOYSA-N
XLogP3.92
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 101467297
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
CID 102144285
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712

Frequently Asked Questions

What is the IUPAC name of 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine?
The IUPAC name of 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine (CID 102459192) is 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine is COP(=O)(OC)c1ccc(-c2ccnc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine?
The InChIKey is ZKPADWQLKRNGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O3P/c1-22-24(21,23-2)16-8-6-14(7-9-16)15-10-12-20-18(13-15)17-5-3-4-11-19-17/h3-13H,1-2H3.
What are the key properties of 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine?
4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine has a molecular weight of 340.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dimethoxyphosphorylphenyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 102459192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).