2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc

C15H13N4O2Zn- — CID 58858981

IUPAC2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
SMILESCc1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Zn]
InChIInChI=1S/C9H8N3.C6H5NO2.Zn/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;8-6(9)5-3-1-2-4-7-5;/h2-6H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyJUSFDGXEIDBMQG-UHFFFAOYSA-N
MW346.69 g/mol
LogP2.19
Rot. Bonds2

About 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc

2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc (PubChem CID 58858981) has the molecular formula C15H13N4O2Zn- and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc.

Molecular Properties

Compound Name2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
PubChem CID58858981
Molecular FormulaC15H13N4O2Zn-
Molecular Weight346.69 g/mol
Exact Mass345.03
IUPAC Name2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
SMILESCc1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Zn]
InChIInChI=1S/C9H8N3.C6H5NO2.Zn/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;8-6(9)5-3-1-2-4-7-5;/h2-6H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyJUSFDGXEIDBMQG-UHFFFAOYSA-N
XLogP2.19
TPSA90.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);phosphane
CID 58788802
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
CID 158549694
gadolinium;pyridine-2-carboxylic acid
CID 175231422
europium;pyridine-2-carboxylic acid
CID 174808227
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc?
The IUPAC name of 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc (CID 58858981) is 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc.
What is the SMILES notation for 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc?
The canonical SMILES for 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc is Cc1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccccn1.[Zn].
What is the InChIKey of 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc?
The InChIKey is JUSFDGXEIDBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3.C6H5NO2.Zn/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;8-6(9)5-3-1-2-4-7-5;/h2-6H,1H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc?
2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc has a molecular weight of 346.69 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc is sourced from PubChem (CID 58858981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).