5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol

C22H16N2O3 — CID 138454583

IUPAC5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol
SMILESOc1cc(-c2cc(-c3ccccc3)cc(-c3ccccn3)n2)cc(O)c1O
InChIInChI=1S/C22H16N2O3/c25-20-12-16(13-21(26)22(20)27)18-10-15(14-6-2-1-3-7-14)11-19(24-18)17-8-4-5-9-23-17/h1-13,25-27H
InChIKeyHNZPITUPKVWANJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.59
Rot. Bonds3

About 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol

5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol (PubChem CID 138454583) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol
PubChem CID138454583
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol
SMILESOc1cc(-c2cc(-c3ccccc3)cc(-c3ccccn3)n2)cc(O)c1O
InChIInChI=1S/C22H16N2O3/c25-20-12-16(13-21(26)22(20)27)18-10-15(14-6-2-1-3-7-14)11-19(24-18)17-8-4-5-9-23-17/h1-13,25-27H
InChIKeyHNZPITUPKVWANJ-UHFFFAOYSA-N
XLogP4.59
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol?
The IUPAC name of 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol (CID 138454583) is 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol.
What is the SMILES notation for 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol?
The canonical SMILES for 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol is Oc1cc(-c2cc(-c3ccccc3)cc(-c3ccccn3)n2)cc(O)c1O.
What is the InChIKey of 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol?
The InChIKey is HNZPITUPKVWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-20-12-16(13-21(26)22(20)27)18-10-15(14-6-2-1-3-7-14)11-19(24-18)17-8-4-5-9-23-17/h1-13,25-27H.
What are the key properties of 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol?
5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol has a molecular weight of 356.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)benzene-1,2,3-triol is sourced from PubChem (CID 138454583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).