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

C13H14Cl2N5Zn- — CID 5248117

IUPAC2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc
SMILESC1=CC(Cn2cccn2)[N-]C(Cn2cccn2)=C1.Cl[Zn]Cl
InChIInChI=1S/C13H14N5.2ClH.Zn/c1-4-12(10-17-8-2-6-14-17)16-13(5-1)11-18-9-3-7-15-18;;;/h1-9,12H,10-11H2;2*1H;/q-1;;;+2/p-2
InChIKeyYWLCGDPXPOFZMC-UHFFFAOYSA-L
MW376.59 g/mol
LogP3.35
Rot. Bonds4

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

2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc (PubChem CID 5248117) has the molecular formula C13H14Cl2N5Zn- and a molecular weight of 376.59 g/mol. Its IUPAC name is 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc.

Molecular Properties

Compound Name2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc
PubChem CID5248117
Molecular FormulaC13H14Cl2N5Zn-
Molecular Weight376.59 g/mol
Exact Mass373.99
IUPAC Name2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc
SMILESC1=CC(Cn2cccn2)[N-]C(Cn2cccn2)=C1.Cl[Zn]Cl
InChIInChI=1S/C13H14N5.2ClH.Zn/c1-4-12(10-17-8-2-6-14-17)16-13(5-1)11-18-9-3-7-15-18;;;/h1-9,12H,10-11H2;2*1H;/q-1;;;+2/p-2
InChIKeyYWLCGDPXPOFZMC-UHFFFAOYSA-L
XLogP3.35
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc?
The IUPAC name of 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc (CID 5248117) is 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc.
What is the SMILES notation for 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc?
The canonical SMILES for 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc is C1=CC(Cn2cccn2)[N-]C(Cn2cccn2)=C1.Cl[Zn]Cl.
What is the InChIKey of 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc?
The InChIKey is YWLCGDPXPOFZMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H14N5.2ClH.Zn/c1-4-12(10-17-8-2-6-14-17)16-13(5-1)11-18-9-3-7-15-18;;;/h1-9,12H,10-11H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc?
2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc has a molecular weight of 376.59 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc is sourced from PubChem (CID 5248117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).