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

C17H13NO3 — CID 143781569

IUPAC4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol
SMILESOc1ccc(-c2ccc(-c3ccccc3)nc2)c(O)c1O
InChIInChI=1S/C17H13NO3/c19-15-9-7-13(16(20)17(15)21)12-6-8-14(18-10-12)11-4-2-1-3-5-11/h1-10,19-21H
InChIKeyRRRXHZYXTAMUSY-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.53
Rot. Bonds2

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

4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol (PubChem CID 143781569) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol
PubChem CID143781569
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol
SMILESOc1ccc(-c2ccc(-c3ccccc3)nc2)c(O)c1O
InChIInChI=1S/C17H13NO3/c19-15-9-7-13(16(20)17(15)21)12-6-8-14(18-10-12)11-4-2-1-3-5-11/h1-10,19-21H
InChIKeyRRRXHZYXTAMUSY-UHFFFAOYSA-N
XLogP3.53
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
2-phenyl-5-[2-(trideuteriomethyl)phenyl]pyridine
CID 59546973
4-(5-phenyl-2-pyridinyl)aniline
CID 129035533
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
4-naphthalen-2-ylbenzene-1,2,3-triol
CID 54019836
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol?
The IUPAC name of 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol (CID 143781569) is 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol is Oc1ccc(-c2ccc(-c3ccccc3)nc2)c(O)c1O.
What is the InChIKey of 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol?
The InChIKey is RRRXHZYXTAMUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-9-7-13(16(20)17(15)21)12-6-8-14(18-10-12)11-4-2-1-3-5-11/h1-10,19-21H.
What are the key properties of 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol?
4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol has a molecular weight of 279.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyl-3-pyridinyl)benzene-1,2,3-triol is sourced from PubChem (CID 143781569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).