benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)

C26H22N4O3 — CID 139056292

IUPACbenzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)
SMILESOc1cc(O)cc(O)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H6O3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-4-1-5(8)3-6(9)2-4/h2*1-8H;1-3,7-9H
InChIKeyVPWOJCHJRYIZSC-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.09
Rot. Bonds2

About benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)

benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine) (PubChem CID 139056292) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebenzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)
PubChem CID139056292
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Namebenzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)
SMILESOc1cc(O)cc(O)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H6O3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-4-1-5(8)3-6(9)2-4/h2*1-8H;1-3,7-9H
InChIKeyVPWOJCHJRYIZSC-UHFFFAOYSA-N
XLogP5.09
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine) (CID 139056292) is benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine) is Oc1cc(O)cc(O)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)?
The InChIKey is VPWOJCHJRYIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H6O3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-4-1-5(8)3-6(9)2-4/h2*1-8H;1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine)?
benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine) has a molecular weight of 438.49 g/mol, XLogP of 5.09, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139056292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).