tripyridin-2-yl phosphite

C15H12N3O3P — CID 19083303

IUPACtripyridin-2-yl phosphite
SMILESc1ccc(OP(Oc2ccccn2)Oc2ccccn2)nc1
InChIInChI=1S/C15H12N3O3P/c1-4-10-16-13(7-1)19-22(20-14-8-2-5-11-17-14)21-15-9-3-6-12-18-15/h1-12H
InChIKeyCCGMSLRAXQHJGB-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.64
Rot. Bonds6

About tripyridin-2-yl phosphite

tripyridin-2-yl phosphite (PubChem CID 19083303) has the molecular formula C15H12N3O3P and a molecular weight of 313.25 g/mol. Its IUPAC name is tripyridin-2-yl phosphite.

Molecular Properties

Compound Nametripyridin-2-yl phosphite
PubChem CID19083303
Molecular FormulaC15H12N3O3P
Molecular Weight313.25 g/mol
Exact Mass313.06
IUPAC Nametripyridin-2-yl phosphite
SMILESc1ccc(OP(Oc2ccccn2)Oc2ccccn2)nc1
InChIInChI=1S/C15H12N3O3P/c1-4-10-16-13(7-1)19-22(20-14-8-2-5-11-17-14)21-15-9-3-6-12-18-15/h1-12H
InChIKeyCCGMSLRAXQHJGB-UHFFFAOYSA-N
XLogP3.64
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripyridin-2-yl phosphite?
The IUPAC name of tripyridin-2-yl phosphite (CID 19083303) is tripyridin-2-yl phosphite.
What is the SMILES notation for tripyridin-2-yl phosphite?
The canonical SMILES for tripyridin-2-yl phosphite is c1ccc(OP(Oc2ccccn2)Oc2ccccn2)nc1.
What is the InChIKey of tripyridin-2-yl phosphite?
The InChIKey is CCGMSLRAXQHJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3O3P/c1-4-10-16-13(7-1)19-22(20-14-8-2-5-11-17-14)21-15-9-3-6-12-18-15/h1-12H.
What are the key properties of tripyridin-2-yl phosphite?
tripyridin-2-yl phosphite has a molecular weight of 313.25 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripyridin-2-yl phosphite is sourced from PubChem (CID 19083303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).