[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid

C11H11BN2O3 — CID 142404996

IUPAC[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid
SMILESCOc1cnc(-c2ccc(B(O)O)cc2)nc1
InChIInChI=1S/C11H11BN2O3/c1-17-10-6-13-11(14-7-10)8-2-4-9(5-3-8)12(15)16/h2-7,15-16H,1H3
InChIKeyZWUYUGMWJMBRCC-UHFFFAOYSA-N
MW230.03 g/mol
LogP-0.17
Rot. Bonds3

About [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid

[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid (PubChem CID 142404996) has the molecular formula C11H11BN2O3 and a molecular weight of 230.03 g/mol. Its IUPAC name is [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid
PubChem CID142404996
Molecular FormulaC11H11BN2O3
Molecular Weight230.03 g/mol
Exact Mass230.09
IUPAC Name[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid
SMILESCOc1cnc(-c2ccc(B(O)O)cc2)nc1
InChIInChI=1S/C11H11BN2O3/c1-17-10-6-13-11(14-7-10)8-2-4-9(5-3-8)12(15)16/h2-7,15-16H,1H3
InChIKeyZWUYUGMWJMBRCC-UHFFFAOYSA-N
XLogP-0.17
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methoxypyrimidin-2-yl)-N-methylaniline
CID 156821520
5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
CID 155917002
2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
CID 162635633
5-bromo-2-(4-octoxyphenyl)pyrimidine;(4-octoxyphenyl)boronic acid
CID 67573265
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
CID 54233658
2,3-dimethylbutane-2,3-diol;(4-methoxyphenyl)boronic acid
CID 71116543
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111
5-(5-methoxypyrimidin-2-yl)-1-methylindole
CID 137376147
[2-(4-phenylmethoxyphenyl)pyrimidin-5-yl]boronic acid
CID 22446906
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid?
The IUPAC name of [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid (CID 142404996) is [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid?
The canonical SMILES for [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid is COc1cnc(-c2ccc(B(O)O)cc2)nc1.
What is the InChIKey of [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid?
The InChIKey is ZWUYUGMWJMBRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BN2O3/c1-17-10-6-13-11(14-7-10)8-2-4-9(5-3-8)12(15)16/h2-7,15-16H,1H3.
What are the key properties of [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid?
[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid has a molecular weight of 230.03 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid is sourced from PubChem (CID 142404996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).