lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide

C6H9BLiNO4 — CID 56973093

IUPAClithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide
SMILESCOc1cccc([B-](O)(O)O)n1.[Li+]
InChIInChI=1S/C6H9BNO4.Li/c1-12-6-4-2-3-5(8-6)7(9,10)11;/h2-4,9-11H,1H3;/q-1;+1
InChIKeyIHGWHFXJNDGBOM-UHFFFAOYSA-N
MW176.89 g/mol
LogP-4.78
Rot. Bonds2

About lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide

lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide (PubChem CID 56973093) has the molecular formula C6H9BLiNO4 and a molecular weight of 176.89 g/mol. Its IUPAC name is lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide.

Molecular Properties

Compound Namelithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide
PubChem CID56973093
Molecular FormulaC6H9BLiNO4
Molecular Weight176.89 g/mol
Exact Mass177.08
IUPAC Namelithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide
SMILESCOc1cccc([B-](O)(O)O)n1.[Li+]
InChIInChI=1S/C6H9BNO4.Li/c1-12-6-4-2-3-5(8-6)7(9,10)11;/h2-4,9-11H,1H3;/q-1;+1
InChIKeyIHGWHFXJNDGBOM-UHFFFAOYSA-N
XLogP-4.78
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.89
LogP ≤ 5-4.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxypyridine
CID 74201
2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
2-Bromo-6-methoxypyridine
CID 256810
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
2,6-Dimethoxypyridine
CID 80378
2-Chloro-6-methoxypyridine
CID 87009
2-Ethoxypyridine-3-boronic acid
CID 11309733
2-Ethoxypyridine-5-boronic Acid
CID 12012237
3-Bromo-2,6-dimethoxypyridine
CID 642860
2-Methoxy-6-methylpyridine
CID 5324773
2-Methoxy-6-(tributylstannyl)pyridine
CID 10524891

Frequently Asked Questions

What is the IUPAC name of lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide?
The IUPAC name of lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide (CID 56973093) is lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide.
What is the SMILES notation for lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide?
The canonical SMILES for lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide is COc1cccc([B-](O)(O)O)n1.[Li+].
What is the InChIKey of lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide?
The InChIKey is IHGWHFXJNDGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BNO4.Li/c1-12-6-4-2-3-5(8-6)7(9,10)11;/h2-4,9-11H,1H3;/q-1;+1.
What are the key properties of lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide?
lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide has a molecular weight of 176.89 g/mol, XLogP of -4.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium trihydroxy-(6-methoxy-2-pyridinyl)boranuide is sourced from PubChem (CID 56973093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).