bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine

C32H36N4O4 — CID 139049918

IUPACbis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
SMILESCc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1nc(C)c(C)nc1C.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C8H12N2.2C7H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-6(2)10-8(4)7(3)9-5;2*1-5-6(8)3-2-4-7(5)9/h1-8H;1-4H3;2*2-4,8-9H,1H3
InChIKeyMXGAYAOASZCJDR-UHFFFAOYSA-N
MW540.66 g/mol
LogP6.67
Rot. Bonds1

About bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine

bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine (PubChem CID 139049918) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine.

Molecular Properties

Compound Namebis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
PubChem CID139049918
Molecular FormulaC32H36N4O4
Molecular Weight540.66 g/mol
Exact Mass540.27
IUPAC Namebis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
SMILESCc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1nc(C)c(C)nc1C.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C8H12N2.2C7H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-6(2)10-8(4)7(3)9-5;2*1-5-6(8)3-2-4-7(5)9/h1-8H;1-4H3;2*2-4,8-9H,1H3
InChIKeyMXGAYAOASZCJDR-UHFFFAOYSA-N
XLogP6.67
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 56.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
CID 162661295
2-[6-(2-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091035
2-[6-(2-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091040
4-[2-[4-(4-Hydroxyphenyl)-2-pyridinyl]-4-pyridinyl]phenol
CID 137267214
2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
3hydroxy-6-[(E)-3-pyridyliminomethyl]phenol
CID 135767525
Phenol, 4-[2,2':6',2''-terpyridin]-4'-yl-
CID 135461974
2,2'-(2,5-Pyrazinediyl)bis[phenol]
CID 136231381
copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
CID 135439973

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
The IUPAC name of bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine (CID 139049918) is bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine.
What is the SMILES notation for bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
The canonical SMILES for bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine is Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1nc(C)c(C)nc1C.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
The InChIKey is MXGAYAOASZCJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C8H12N2.2C7H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-6(2)10-8(4)7(3)9-5;2*1-5-6(8)3-2-4-7(5)9/h1-8H;1-4H3;2*2-4,8-9H,1H3.
What are the key properties of bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine has a molecular weight of 540.66 g/mol, XLogP of 6.67, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine is sourced from PubChem (CID 139049918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).