ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol

C52H80N8O8 — CID 160605301

IUPACethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.OC1=C(C2=C(O)CC=N2)N=CC1.OC1=C(c2ncccc2O)N=CC1.OC1=C(c2ncccc2O)N=CC1.Oc1cccnc1-c1ncccc1O
InChIInChI=1S/C10H8N2O2.2C9H8N2O2.C8H8N2O2.8C2H6/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*12-6-2-1-4-10-8(6)9-7(13)3-5-11-9;11-5-1-3-9-7(5)8-6(12)2-4-10-8;8*1-2/h1-6,13-14H;2*1-2,4-5,12-13H,3H2;3-4,11-12H,1-2H2;8*1-2H3
InChIKeyREUGOCGHWSTXHY-UHFFFAOYSA-N
MW945.26 g/mol
LogP14.22
Rot. Bonds4

About ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol

ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol (PubChem CID 160605301) has the molecular formula C52H80N8O8 and a molecular weight of 945.26 g/mol. Its IUPAC name is ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol.

Molecular Properties

Compound Nameethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol
PubChem CID160605301
Molecular FormulaC52H80N8O8
Molecular Weight945.26 g/mol
Exact Mass944.61
IUPAC Nameethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.OC1=C(C2=C(O)CC=N2)N=CC1.OC1=C(c2ncccc2O)N=CC1.OC1=C(c2ncccc2O)N=CC1.Oc1cccnc1-c1ncccc1O
InChIInChI=1S/C10H8N2O2.2C9H8N2O2.C8H8N2O2.8C2H6/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*12-6-2-1-4-10-8(6)9-7(13)3-5-11-9;11-5-1-3-9-7(5)8-6(12)2-4-10-8;8*1-2/h1-6,13-14H;2*1-2,4-5,12-13H,3H2;3-4,11-12H,1-2H2;8*1-2H3
InChIKeyREUGOCGHWSTXHY-UHFFFAOYSA-N
XLogP14.22
TPSA262.84 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500945.26
LogP ≤ 514.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol with MolForge

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Related Compounds

2,2'-Bipyridine-3,3'-diol
CID 534031
2-[[4-[(3-Hydroxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
CID 145980227
[2,2'-Bipyridin]-3-ol
CID 135496812
Trihydroxy(2-pyridylmethyl)borate
CID 129806045
Hexakis(2,2-dimethylpropan-1-olate);tris(2-(3-oxido-2-pyridinyl)pyridin-3-olate);tris(titanium(4+))
CID 139041560
Hexakis(2-methylpropan-2-olate);tris(2-(3-oxido-2-pyridinyl)pyridin-3-olate);tris(zirconium(4+))
CID 139041561
diacetatobis(3-hydroxypyridine)copper(II)
CID 139067074
2-(3-hydroxy-2-pyridinyl)pyridin-3-olate;bis((Z)-4-oxopent-2-en-2-olate);ruthenium(3+)
CID 139141169
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142293
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142294
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(phenyl(pyridin-2-yl)diazene);perchlorate
CID 139168101
Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-kappa^2^N,N')zinc(II)
CID 168309514

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol?
The IUPAC name of ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol (CID 160605301) is ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol.
What is the SMILES notation for ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol?
The canonical SMILES for ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol is CC.CC.CC.CC.CC.CC.CC.CC.OC1=C(C2=C(O)CC=N2)N=CC1.OC1=C(c2ncccc2O)N=CC1.OC1=C(c2ncccc2O)N=CC1.Oc1cccnc1-c1ncccc1O.
What is the InChIKey of ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol?
The InChIKey is REUGOCGHWSTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.2C9H8N2O2.C8H8N2O2.8C2H6/c13-7-3-1-5-11-9(7)10-8(14)4-2-6-12-10;2*12-6-2-1-4-10-8(6)9-7(13)3-5-11-9;11-5-1-3-9-7(5)8-6(12)2-4-10-8;8*1-2/h1-6,13-14H;2*1-2,4-5,12-13H,3H2;3-4,11-12H,1-2H2;8*1-2H3.
What are the key properties of ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol?
ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol has a molecular weight of 945.26 g/mol, XLogP of 14.22, 4 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-hydroxy-2-pyridinyl)pyridin-3-ol;bis(2-(4-hydroxy-3H-pyrrol-5-yl)pyridin-3-ol);5-(4-hydroxy-3H-pyrrol-5-yl)-3H-pyrrol-4-ol is sourced from PubChem (CID 160605301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).