sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide

C34H20N19Na — CID 160674105

IUPACsodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide
SMILESN#Cc1cccc(-c2cccc(-c3cccc(C#N)n3)n2)n1.[N-]=[N+]=[N-].[Na+].c1cc(-c2cccc(-c3nn[nH]n3)n2)nc(-c2cccc(-c3nn[nH]n3)n2)c1
InChIInChI=1S/C17H11N11.C17H9N5.N3.Na/c1-4-10(12-6-2-8-14(19-12)16-21-25-26-22-16)18-11(5-1)13-7-3-9-15(20-13)17-23-27-28-24-17;18-10-12-4-1-6-14(20-12)16-8-3-9-17(22-16)15-7-2-5-13(11-19)21-15;1-3-2;/h1-9H,(H,21,22,25,26)(H,23,24,27,28);1-9H;;/q;;-1;+1
InChIKeyYBSIPTQVIUMWKK-UHFFFAOYSA-N
MW717.66 g/mol
LogP2.38
Rot. Bonds6

About sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide

sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide (PubChem CID 160674105) has the molecular formula C34H20N19Na and a molecular weight of 717.66 g/mol. Its IUPAC name is sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide.

Molecular Properties

Compound Namesodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide
PubChem CID160674105
Molecular FormulaC34H20N19Na
Molecular Weight717.66 g/mol
Exact Mass717.20
IUPAC Namesodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide
SMILESN#Cc1cccc(-c2cccc(-c3cccc(C#N)n3)n2)n1.[N-]=[N+]=[N-].[Na+].c1cc(-c2cccc(-c3nn[nH]n3)n2)nc(-c2cccc(-c3nn[nH]n3)n2)c1
InChIInChI=1S/C17H11N11.C17H9N5.N3.Na/c1-4-10(12-6-2-8-14(19-12)16-21-25-26-22-16)18-11(5-1)13-7-3-9-15(20-13)17-23-27-28-24-17;18-10-12-4-1-6-14(20-12)16-8-3-9-17(22-16)15-7-2-5-13(11-19)21-15;1-3-2;/h1-9H,(H,21,22,25,26)(H,23,24,27,28);1-9H;;/q;;-1;+1
InChIKeyYBSIPTQVIUMWKK-UHFFFAOYSA-N
XLogP2.38
TPSA292.54 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.66
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Bis(acetonitrile);copper(1+);bis(3-methyl-6-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]-1,2,4,5-tetrazine);hexafluorophosphate
CID 139164465
1,4-bis[[6-(2H-tetrazol-5-yl)-2-pyridinyl]methyl]-7-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]-1,4,7-triazonane
CID 58260767
2-(2H-tetrazol-5-yl)-6-[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine
CID 58260770
6,6''-Di(1H-tetrazol-5-yl)-2,2':6',2''-terpyridine
CID 58260771
2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine
CID 71277482
sodium;4-(4-bromophenyl)-2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[4-(4-bromophenyl)-6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide
CID 161305032

Frequently Asked Questions

What is the IUPAC name of sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide?
The IUPAC name of sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide (CID 160674105) is sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide.
What is the SMILES notation for sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide?
The canonical SMILES for sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide is N#Cc1cccc(-c2cccc(-c3cccc(C#N)n3)n2)n1.[N-]=[N+]=[N-].[Na+].c1cc(-c2cccc(-c3nn[nH]n3)n2)nc(-c2cccc(-c3nn[nH]n3)n2)c1.
What is the InChIKey of sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide?
The InChIKey is YBSIPTQVIUMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N11.C17H9N5.N3.Na/c1-4-10(12-6-2-8-14(19-12)16-21-25-26-22-16)18-11(5-1)13-7-3-9-15(20-13)17-23-27-28-24-17;18-10-12-4-1-6-14(20-12)16-8-3-9-17(22-16)15-7-2-5-13(11-19)21-15;1-3-2;/h1-9H,(H,21,22,25,26)(H,23,24,27,28);1-9H;;/q;;-1;+1.
What are the key properties of sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide?
sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide has a molecular weight of 717.66 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,6-bis[6-(2H-tetrazol-5-yl)-2-pyridinyl]pyridine;6-[6-(6-cyano-2-pyridinyl)-2-pyridinyl]pyridine-2-carbonitrile;azide is sourced from PubChem (CID 160674105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).