zinc;carbanide;6-chloro-3H-pyridin-3-ide

C6H6ClNZn — CID 118470127

IUPACzinc;carbanide;6-chloro-3H-pyridin-3-ide
SMILESClc1cc[c-]cn1.[CH3-].[Zn+2]
InChIInChI=1S/C5H3ClN.CH3.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H3;/q2*-1;+2
InChIKeyWVZQVQKHRVJWAR-UHFFFAOYSA-N
MW192.96 g/mol
LogP1.98
Rot. Bonds

About zinc;carbanide;6-chloro-3H-pyridin-3-ide

zinc;carbanide;6-chloro-3H-pyridin-3-ide (PubChem CID 118470127) has the molecular formula C6H6ClNZn and a molecular weight of 192.96 g/mol. Its IUPAC name is zinc;carbanide;6-chloro-3H-pyridin-3-ide.

Molecular Properties

Compound Namezinc;carbanide;6-chloro-3H-pyridin-3-ide
PubChem CID118470127
Molecular FormulaC6H6ClNZn
Molecular Weight192.96 g/mol
Exact Mass190.95
IUPAC Namezinc;carbanide;6-chloro-3H-pyridin-3-ide
SMILESClc1cc[c-]cn1.[CH3-].[Zn+2]
InChIInChI=1S/C5H3ClN.CH3.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H3;/q2*-1;+2
InChIKeyWVZQVQKHRVJWAR-UHFFFAOYSA-N
XLogP1.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;6-chloro-3H-pyridin-3-ide?
The IUPAC name of zinc;carbanide;6-chloro-3H-pyridin-3-ide (CID 118470127) is zinc;carbanide;6-chloro-3H-pyridin-3-ide.
What is the SMILES notation for zinc;carbanide;6-chloro-3H-pyridin-3-ide?
The canonical SMILES for zinc;carbanide;6-chloro-3H-pyridin-3-ide is Clc1cc[c-]cn1.[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;6-chloro-3H-pyridin-3-ide?
The InChIKey is WVZQVQKHRVJWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN.CH3.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;6-chloro-3H-pyridin-3-ide?
zinc;carbanide;6-chloro-3H-pyridin-3-ide has a molecular weight of 192.96 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;6-chloro-3H-pyridin-3-ide is sourced from PubChem (CID 118470127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).