lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide

C5H6BClLiNO3 — CID 122199135

IUPAClithium (6-chloro-2-pyridinyl)-trihydroxyboranuide
SMILESO[B-](O)(O)c1cccc(Cl)n1.[Li+]
InChIInChI=1S/C5H6BClNO3.Li/c7-5-3-1-2-4(8-5)6(9,10)11;/h1-3,9-11H;/q-1;+1
InChIKeyVYPAJFFHJJRWAN-UHFFFAOYSA-N
MW181.31 g/mol
LogP-4.14
Rot. Bonds1

About lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide

lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide (PubChem CID 122199135) has the molecular formula C5H6BClLiNO3 and a molecular weight of 181.31 g/mol. Its IUPAC name is lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide.

Molecular Properties

Compound Namelithium (6-chloro-2-pyridinyl)-trihydroxyboranuide
PubChem CID122199135
Molecular FormulaC5H6BClLiNO3
Molecular Weight181.31 g/mol
Exact Mass181.03
IUPAC Namelithium (6-chloro-2-pyridinyl)-trihydroxyboranuide
SMILESO[B-](O)(O)c1cccc(Cl)n1.[Li+]
InChIInChI=1S/C5H6BClNO3.Li/c7-5-3-1-2-4(8-5)6(9,10)11;/h1-3,9-11H;/q-1;+1
InChIKeyVYPAJFFHJJRWAN-UHFFFAOYSA-N
XLogP-4.14
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 5-4.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide?
The IUPAC name of lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide (CID 122199135) is lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide.
What is the SMILES notation for lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide?
The canonical SMILES for lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide is O[B-](O)(O)c1cccc(Cl)n1.[Li+].
What is the InChIKey of lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide?
The InChIKey is VYPAJFFHJJRWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BClNO3.Li/c7-5-3-1-2-4(8-5)6(9,10)11;/h1-3,9-11H;/q-1;+1.
What are the key properties of lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide?
lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide has a molecular weight of 181.31 g/mol, XLogP of -4.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (6-chloro-2-pyridinyl)-trihydroxyboranuide is sourced from PubChem (CID 122199135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).