lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide

C6H8BClLiNO4 — CID 122199151

IUPAClithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide
SMILESCOc1ccc([B-](O)(O)O)nc1Cl.[Li+]
InChIInChI=1S/C6H8BClNO4.Li/c1-13-4-2-3-5(7(10,11)12)9-6(4)8;/h2-3,10-12H,1H3;/q-1;+1
InChIKeyCCNQEJKOQPZDFG-UHFFFAOYSA-N
MW211.34 g/mol
LogP-4.13
Rot. Bonds2

About lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide

lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide (PubChem CID 122199151) has the molecular formula C6H8BClLiNO4 and a molecular weight of 211.34 g/mol. Its IUPAC name is lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide.

Molecular Properties

Compound Namelithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide
PubChem CID122199151
Molecular FormulaC6H8BClLiNO4
Molecular Weight211.34 g/mol
Exact Mass211.04
IUPAC Namelithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide
SMILESCOc1ccc([B-](O)(O)O)nc1Cl.[Li+]
InChIInChI=1S/C6H8BClNO4.Li/c1-13-4-2-3-5(7(10,11)12)9-6(4)8;/h2-3,10-12H,1H3;/q-1;+1
InChIKeyCCNQEJKOQPZDFG-UHFFFAOYSA-N
XLogP-4.13
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 5-4.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-5-methoxy-2-pyridinyl)-trihydroxyboranuide?
The IUPAC name of lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide (CID 122199151) is lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide.
What is the SMILES notation for lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide?
The canonical SMILES for lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide is COc1ccc([B-](O)(O)O)nc1Cl.[Li+].
What is the InChIKey of lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide?
The InChIKey is CCNQEJKOQPZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BClNO4.Li/c1-13-4-2-3-5(7(10,11)12)9-6(4)8;/h2-3,10-12H,1H3;/q-1;+1.
What are the key properties of lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide?
lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide has a molecular weight of 211.34 g/mol, XLogP of -4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (6-chloro-5-methoxy-2-pyridinyl)-trihydroxyboranuide is sourced from PubChem (CID 122199151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).