4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine

C15H11N4OP — CID 122674343

IUPAC4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine
SMILESO=PCc1cc(-c2ccccn2)nnc1-c1ccccn1
InChIInChI=1S/C15H11N4OP/c20-21-10-11-9-14(12-5-1-3-7-16-12)18-19-15(11)13-6-2-4-8-17-13/h1-9H,10H2
InChIKeyCBKMCWFKOZEBNU-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.39
Rot. Bonds4

About 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine

4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine (PubChem CID 122674343) has the molecular formula C15H11N4OP and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine.

Molecular Properties

Compound Name4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine
PubChem CID122674343
Molecular FormulaC15H11N4OP
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine
SMILESO=PCc1cc(-c2ccccn2)nnc1-c1ccccn1
InChIInChI=1S/C15H11N4OP/c20-21-10-11-9-14(12-5-1-3-7-16-12)18-19-15(11)13-6-2-4-8-17-13/h1-9H,10H2
InChIKeyCBKMCWFKOZEBNU-UHFFFAOYSA-N
XLogP3.39
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.39
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

4-benzyl-3,6-dipyridin-2-ylpyridazine
CID 132577194
4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950
methyl 3,6-dipyridin-2-ylpyridazine-4-carboxylate
CID 6417972
4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
CID 139194398
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258

Frequently Asked Questions

What is the IUPAC name of 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine?
The IUPAC name of 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine (CID 122674343) is 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine.
What is the SMILES notation for 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine?
The canonical SMILES for 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine is O=PCc1cc(-c2ccccn2)nnc1-c1ccccn1.
What is the InChIKey of 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine?
The InChIKey is CBKMCWFKOZEBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N4OP/c20-21-10-11-9-14(12-5-1-3-7-16-12)18-19-15(11)13-6-2-4-8-17-13/h1-9H,10H2.
What are the key properties of 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine?
4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine has a molecular weight of 294.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine is sourced from PubChem (CID 122674343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).