(2-methoxy-4-pyridinyl)borinic acid

C6H8BNO2 — CID 143871240

IUPAC(2-methoxy-4-pyridinyl)borinic acid
SMILESCOc1cc(BO)ccn1
InChIInChI=1S/C6H8BNO2/c1-10-6-4-5(7-9)2-3-8-6/h2-4,7,9H,1H3
InChIKeyCCFVONMACICTOY-UHFFFAOYSA-N
MW136.95 g/mol
LogP-0.94
Rot. Bonds2

About (2-methoxy-4-pyridinyl)borinic acid

(2-methoxy-4-pyridinyl)borinic acid (PubChem CID 143871240) has the molecular formula C6H8BNO2 and a molecular weight of 136.95 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)borinic acid.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)borinic acid
PubChem CID143871240
Molecular FormulaC6H8BNO2
Molecular Weight136.95 g/mol
Exact Mass137.06
IUPAC Name(2-methoxy-4-pyridinyl)borinic acid
SMILESCOc1cc(BO)ccn1
InChIInChI=1S/C6H8BNO2/c1-10-6-4-5(7-9)2-3-8-6/h2-4,7,9H,1H3
InChIKeyCCFVONMACICTOY-UHFFFAOYSA-N
XLogP-0.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.95
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88855620
CID 88855620
(2-methoxy-4-pyridinyl)boronic acid;hydrochloride
CID 71306177
2-methoxy-4-nitrosopyridine
CID 178043573
(2-methoxy-4-pyridinyl)methylazanium
CID 25323729
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
ethane;2-methoxy-4-(methoxymethyl)pyridine
CID 156724194
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
2,4-dimethoxypyridine;toluene
CID 174791067
3-[(2-methoxy-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771094
3,4-dihydroxy-4-(2-methoxy-4-pyridinyl)butanenitrile
CID 171900762
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)borinic acid?
The IUPAC name of (2-methoxy-4-pyridinyl)borinic acid (CID 143871240) is (2-methoxy-4-pyridinyl)borinic acid.
What is the SMILES notation for (2-methoxy-4-pyridinyl)borinic acid?
The canonical SMILES for (2-methoxy-4-pyridinyl)borinic acid is COc1cc(BO)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)borinic acid?
The InChIKey is CCFVONMACICTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2/c1-10-6-4-5(7-9)2-3-8-6/h2-4,7,9H,1H3.
What are the key properties of (2-methoxy-4-pyridinyl)borinic acid?
(2-methoxy-4-pyridinyl)borinic acid has a molecular weight of 136.95 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)borinic acid is sourced from PubChem (CID 143871240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).