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

C30H30Cl2N4O4 — CID 139125972

IUPACbis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
SMILESCc1nc(C)c(C)nc1C.Oc1cccc(O)c1Cl.Oc1cccc(O)c1Cl.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C8H12N2.2C6H5ClO2/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*7-6-4(8)2-1-3-5(6)9/h1-8H;1-4H3;2*1-3,8-9H
InChIKeyZNZQLKVIAIYCOM-UHFFFAOYSA-N
MW581.50 g/mol
LogP7.36
Rot. Bonds1

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

bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine (PubChem CID 139125972) has the molecular formula C30H30Cl2N4O4 and a molecular weight of 581.50 g/mol. Its IUPAC name is bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine.

Molecular Properties

Compound Namebis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
PubChem CID139125972
Molecular FormulaC30H30Cl2N4O4
Molecular Weight581.50 g/mol
Exact Mass580.16
IUPAC Namebis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
SMILESCc1nc(C)c(C)nc1C.Oc1cccc(O)c1Cl.Oc1cccc(O)c1Cl.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C8H12N2.2C6H5ClO2/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*7-6-4(8)2-1-3-5(6)9/h1-8H;1-4H3;2*1-3,8-9H
InChIKeyZNZQLKVIAIYCOM-UHFFFAOYSA-N
XLogP7.36
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.50
LogP ≤ 57.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-Dichlorobenzene-1,3-diol;2-pyridin-2-ylpyridine
CID 139041169
4,6-Dichlorobenzene-1,3-diol;bis(pyridine)
CID 139041170
4-Pyridylazophenyl 4,6-dichloro-1,3-benzenediol
CID 139045375
Bis(2-methylbenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
CID 139049918
Bis(benzene-1,3,5-triol);4-(2-pyridin-4-ylethyl)pyridine;bis(2,3,5,6-tetramethylpyrazine)
CID 139049957
1,3,5-Trihydroxybenzene-2,2'-Bipyridyl (1/2)
CID 139056292
Bis(2-chlorobenzene-1,3-diol);4-(2-pyridin-4-ylethyl)pyridine;2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
CID 139125977
bis(2-chlorobenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine
CID 139125978
1,1'-Biphenyl;bis(2-chlorobenzene-1,3-diol);4-(2-pyridin-4-ylethyl)pyridine;2,3,5,6-tetramethylpyrazine
CID 139125979
Bis(4,6-dichlorobenzene-1,3-diol);bis(2,5-dimethylpyrazine)
CID 168307101
4,6-dichlorobenzene-1,3-diol;bis(2-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]pyridine)
CID 168335333

Frequently Asked Questions

What is the IUPAC name of bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
The IUPAC name of bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine (CID 139125972) is bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine.
What is the SMILES notation for bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
The canonical SMILES for bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine is Cc1nc(C)c(C)nc1C.Oc1cccc(O)c1Cl.Oc1cccc(O)c1Cl.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
The InChIKey is ZNZQLKVIAIYCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C8H12N2.2C6H5ClO2/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*7-6-4(8)2-1-3-5(6)9/h1-8H;1-4H3;2*1-3,8-9H.
What are the key properties of bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine?
bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine has a molecular weight of 581.50 g/mol, XLogP of 7.36, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorobenzene-1,3-diol);2-pyridin-2-ylpyridine;2,3,5,6-tetramethylpyrazine is sourced from PubChem (CID 139125972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).