(5-methyl-3-pyridinyl)oxyboronic acid

C6H8BNO3 — CID 142647685

IUPAC(5-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1cncc(OB(O)O)c1
InChIInChI=1S/C6H8BNO3/c1-5-2-6(4-8-3-5)11-7(9)10/h2-4,9-10H,1H3
InChIKeyPPRGPYXBTCBISV-UHFFFAOYSA-N
MW152.95 g/mol
LogP-0.26
Rot. Bonds2

About (5-methyl-3-pyridinyl)oxyboronic acid

(5-methyl-3-pyridinyl)oxyboronic acid (PubChem CID 142647685) has the molecular formula C6H8BNO3 and a molecular weight of 152.95 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)oxyboronic acid
PubChem CID142647685
Molecular FormulaC6H8BNO3
Molecular Weight152.95 g/mol
Exact Mass153.06
IUPAC Name(5-methyl-3-pyridinyl)oxyboronic acid
SMILESCc1cncc(OB(O)O)c1
InChIInChI=1S/C6H8BNO3/c1-5-2-6(4-8-3-5)11-7(9)10/h2-4,9-10H,1H3
InChIKeyPPRGPYXBTCBISV-UHFFFAOYSA-N
XLogP-0.26
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.95
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
CID 142770118
(6-methoxy-5-methyl-3-pyridinyl)oxyboronic acid
CID 142793911
CID 174996178
CID 174996178
(5-methyl-3-pyridinyl)-sulfanylborinic acid
CID 87820110
2-[(5-methyl-3-pyridinyl)oxy]phenol
CID 143501978
3-cyclobutyloxy-5-methylpyridine
CID 130057239
(3,4,5-trimethylphenoxy)boronic acid
CID 22237826
[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid
CID 102881795
(2-fluoro-5-methyl-3-pyridinyl)oxyboronic acid
CID 142736729
(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid
CID 142728980
(6-chloro-4-methyl-3-pyridinyl)oxyboronic acid
CID 142793277
hydroperoxy-(6-methylpyrazin-2-yl)oxyborinic acid
CID 172708684

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (5-methyl-3-pyridinyl)oxyboronic acid (CID 142647685) is (5-methyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (5-methyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (5-methyl-3-pyridinyl)oxyboronic acid is Cc1cncc(OB(O)O)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)oxyboronic acid?
The InChIKey is PPRGPYXBTCBISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO3/c1-5-2-6(4-8-3-5)11-7(9)10/h2-4,9-10H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)oxyboronic acid?
(5-methyl-3-pyridinyl)oxyboronic acid has a molecular weight of 152.95 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142647685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).