(2-methoxy-6-phenyl-3-pyridinyl)boronic acid

C12H12BNO3 — CID 2763125

IUPAC(2-methoxy-6-phenyl-3-pyridinyl)boronic acid
SMILESCOc1nc(-c2ccccc2)ccc1B(O)O
InChIInChI=1S/C12H12BNO3/c1-17-12-10(13(15)16)7-8-11(14-12)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKeyQKCHRZYPRDYABC-UHFFFAOYSA-N
MW229.04 g/mol
LogP0.44
Rot. Bonds3

About (2-methoxy-6-phenyl-3-pyridinyl)boronic acid

(2-methoxy-6-phenyl-3-pyridinyl)boronic acid (PubChem CID 2763125) has the molecular formula C12H12BNO3 and a molecular weight of 229.04 g/mol. Its IUPAC name is (2-methoxy-6-phenyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-methoxy-6-phenyl-3-pyridinyl)boronic acid
PubChem CID2763125
Molecular FormulaC12H12BNO3
Molecular Weight229.04 g/mol
Exact Mass229.09
IUPAC Name(2-methoxy-6-phenyl-3-pyridinyl)boronic acid
SMILESCOc1nc(-c2ccccc2)ccc1B(O)O
InChIInChI=1S/C12H12BNO3/c1-17-12-10(13(15)16)7-8-11(14-12)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKeyQKCHRZYPRDYABC-UHFFFAOYSA-N
XLogP0.44
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 50.44
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

3-fluoro-2-methoxy-6-phenylpyridine
CID 133095533
2-bromo-3-methoxy-6-phenylpyridine
CID 10869126
1-methoxy-3-phenylindeno[2,1-c]pyridin-9-one
CID 12033898
2-methoxy-3-methyl-5-phenylpyrazine
CID 13123634
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-phenylpyridine
CID 166071235
2-methoxy-3,5-diphenylpyrazine
CID 13123633
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
4-(2-hydroxyphenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 135692578
2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
CID 59585000
6-methoxy-5-phenylpyridine-2-carboxylic acid
CID 46315031
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-phenyl-3-pyridinyl)boronic acid?
The IUPAC name of (2-methoxy-6-phenyl-3-pyridinyl)boronic acid (CID 2763125) is (2-methoxy-6-phenyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-methoxy-6-phenyl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-methoxy-6-phenyl-3-pyridinyl)boronic acid is COc1nc(-c2ccccc2)ccc1B(O)O.
What is the InChIKey of (2-methoxy-6-phenyl-3-pyridinyl)boronic acid?
The InChIKey is QKCHRZYPRDYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BNO3/c1-17-12-10(13(15)16)7-8-11(14-12)9-5-3-2-4-6-9/h2-8,15-16H,1H3.
What are the key properties of (2-methoxy-6-phenyl-3-pyridinyl)boronic acid?
(2-methoxy-6-phenyl-3-pyridinyl)boronic acid has a molecular weight of 229.04 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-phenyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 2763125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).