dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide

C9H10Cl2N3Zn- — CID 5248111

IUPACdichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
SMILESC1=CC[N-]C(Cn2cccn2)=C1.Cl[Zn]Cl
InChIInChI=1S/C9H10N3.2ClH.Zn/c1-2-5-10-9(4-1)8-12-7-3-6-11-12;;;/h1-4,6-7H,5,8H2;2*1H;/q-1;;;+2/p-2
InChIKeyCRMZQHLUFUEKEK-UHFFFAOYSA-L
MW296.50 g/mol
LogP3.09
Rot. Bonds2

About dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide

dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide (PubChem CID 5248111) has the molecular formula C9H10Cl2N3Zn- and a molecular weight of 296.50 g/mol. Its IUPAC name is dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide.

Molecular Properties

Compound Namedichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
PubChem CID5248111
Molecular FormulaC9H10Cl2N3Zn-
Molecular Weight296.50 g/mol
Exact Mass293.95
IUPAC Namedichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
SMILESC1=CC[N-]C(Cn2cccn2)=C1.Cl[Zn]Cl
InChIInChI=1S/C9H10N3.2ClH.Zn/c1-2-5-10-9(4-1)8-12-7-3-6-11-12;;;/h1-4,6-7H,5,8H2;2*1H;/q-1;;;+2/p-2
InChIKeyCRMZQHLUFUEKEK-UHFFFAOYSA-L
XLogP3.09
TPSA31.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iridium;1-(1-phenylethenyl)pyrazole
CID 58991680
2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc
CID 5248117
dichloro(dimethyl)stannane;2-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
CID 5252496
dibromo(dimethyl)stannane;2-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
CID 5252498
dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
CID 50922363
[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten
CID 58945486
Magnesium;1-phenylpyrazole;chloride
CID 71384657
Magnesium chloride 2-(1H-pyrazol-1-yl)benzen-1-ide (1/1/1)
CID 78065307
5,6,7,8-Tetrahydropyrazolo[1,2-a]pyridazin-4-ium
CID 140699829

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide?
The IUPAC name of dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide (CID 5248111) is dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide.
What is the SMILES notation for dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide?
The canonical SMILES for dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide is C1=CC[N-]C(Cn2cccn2)=C1.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide?
The InChIKey is CRMZQHLUFUEKEK-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H10N3.2ClH.Zn/c1-2-5-10-9(4-1)8-12-7-3-6-11-12;;;/h1-4,6-7H,5,8H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide?
dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide has a molecular weight of 296.50 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;6-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide is sourced from PubChem (CID 5248111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).