[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid

C12H12BNO3 — CID 131383111

IUPAC[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
SMILESCOc1cccc(-c2ccc(B(O)O)cn2)c1
InChIInChI=1S/C12H12BNO3/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14-12)13(15)16/h2-8,15-16H,1H3
InChIKeyJMVBXZURJDSYIF-UHFFFAOYSA-N
MW229.04 g/mol
LogP0.44
Rot. Bonds3

About [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid

[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid (PubChem CID 131383111) has the molecular formula C12H12BNO3 and a molecular weight of 229.04 g/mol. Its IUPAC name is [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
PubChem CID131383111
Molecular FormulaC12H12BNO3
Molecular Weight229.04 g/mol
Exact Mass229.09
IUPAC Name[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
SMILESCOc1cccc(-c2ccc(B(O)O)cn2)c1
InChIInChI=1S/C12H12BNO3/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14-12)13(15)16/h2-8,15-16H,1H3
InChIKeyJMVBXZURJDSYIF-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

[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
CID 74890632
[3-(3-methoxyphenyl)phenyl]boronic acid
CID 23005394
(3-methoxyphenyl)boronic acid
CID 2734370
trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714216
(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
CID 59772249
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[3-(5-methoxy-2-pyridinyl)phenyl]propan-2-ol
CID 90271580
bis(3-methoxyphenyl)borinic acid
CID 153354662
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid (CID 131383111) is [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid is COc1cccc(-c2ccc(B(O)O)cn2)c1.
What is the InChIKey of [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid?
The InChIKey is JMVBXZURJDSYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BNO3/c1-17-11-4-2-3-9(7-11)12-6-5-10(8-14-12)13(15)16/h2-8,15-16H,1H3.
What are the key properties of [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid?
[6-(3-methoxyphenyl)-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 [6-(3-methoxyphenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 131383111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).