lithium 5-chloro-2H-pyridin-2-ide

C5H3ClLiN — CID 22638503

IUPAClithium 5-chloro-2H-pyridin-2-ide
SMILESClc1cc[c-]nc1.[Li+]
InChIInChI=1S/C5H3ClN.Li/c6-5-2-1-3-7-4-5;/h1-2,4H;/q-1;+1
InChIKeyVCSQIUNSKSBRNU-UHFFFAOYSA-N
MW119.48 g/mol
LogP-1.46
Rot. Bonds

About lithium 5-chloro-2H-pyridin-2-ide

lithium 5-chloro-2H-pyridin-2-ide (PubChem CID 22638503) has the molecular formula C5H3ClLiN and a molecular weight of 119.48 g/mol. Its IUPAC name is lithium 5-chloro-2H-pyridin-2-ide.

Molecular Properties

Compound Namelithium 5-chloro-2H-pyridin-2-ide
PubChem CID22638503
Molecular FormulaC5H3ClLiN
Molecular Weight119.48 g/mol
Exact Mass119.01
IUPAC Namelithium 5-chloro-2H-pyridin-2-ide
SMILESClc1cc[c-]nc1.[Li+]
InChIInChI=1S/C5H3ClN.Li/c6-5-2-1-3-7-4-5;/h1-2,4H;/q-1;+1
InChIKeyVCSQIUNSKSBRNU-UHFFFAOYSA-N
XLogP-1.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.48
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 5-chloro-2H-pyridin-2-ide?
The IUPAC name of lithium 5-chloro-2H-pyridin-2-ide (CID 22638503) is lithium 5-chloro-2H-pyridin-2-ide.
What is the SMILES notation for lithium 5-chloro-2H-pyridin-2-ide?
The canonical SMILES for lithium 5-chloro-2H-pyridin-2-ide is Clc1cc[c-]nc1.[Li+].
What is the InChIKey of lithium 5-chloro-2H-pyridin-2-ide?
The InChIKey is VCSQIUNSKSBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN.Li/c6-5-2-1-3-7-4-5;/h1-2,4H;/q-1;+1.
What are the key properties of lithium 5-chloro-2H-pyridin-2-ide?
lithium 5-chloro-2H-pyridin-2-ide has a molecular weight of 119.48 g/mol, XLogP of -1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-chloro-2H-pyridin-2-ide is sourced from PubChem (CID 22638503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).