(6-pyrazol-1-yl-3-pyridinyl)boronic acid

C8H8BN3O2 — CID 124707516

IUPAC(6-pyrazol-1-yl-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C8H8BN3O2/c13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6,13-14H
InChIKeyPDYAJDWXLGCUNI-UHFFFAOYSA-N
MW188.98 g/mol
LogP-1.05
Rot. Bonds2

About (6-pyrazol-1-yl-3-pyridinyl)boronic acid

(6-pyrazol-1-yl-3-pyridinyl)boronic acid (PubChem CID 124707516) has the molecular formula C8H8BN3O2 and a molecular weight of 188.98 g/mol. Its IUPAC name is (6-pyrazol-1-yl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-pyrazol-1-yl-3-pyridinyl)boronic acid
PubChem CID124707516
Molecular FormulaC8H8BN3O2
Molecular Weight188.98 g/mol
Exact Mass189.07
IUPAC Name(6-pyrazol-1-yl-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C8H8BN3O2/c13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6,13-14H
InChIKeyPDYAJDWXLGCUNI-UHFFFAOYSA-N
XLogP-1.05
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.98
LogP ≤ 5-1.05
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

6-pyrazol-1-ylpyridine-3-carbothioamide
CID 24709934
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 115563158
(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 79001910
N-hydroxy-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 121269908
6-fluoropyridin-3-amine;6-pyrazol-1-ylpyridin-3-amine
CID 161230547
5-(methylsulfanylmethyl)-2-pyrazol-1-ylpyridine
CID 148997787
2-bromo-2-(6-pyrazol-1-yl-3-pyridinyl)acetaldehyde
CID 174703787
[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]boronic acid
CID 129407137
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782

Frequently Asked Questions

What is the IUPAC name of (6-pyrazol-1-yl-3-pyridinyl)boronic acid?
The IUPAC name of (6-pyrazol-1-yl-3-pyridinyl)boronic acid (CID 124707516) is (6-pyrazol-1-yl-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-pyrazol-1-yl-3-pyridinyl)boronic acid?
The canonical SMILES for (6-pyrazol-1-yl-3-pyridinyl)boronic acid is OB(O)c1ccc(-n2cccn2)nc1.
What is the InChIKey of (6-pyrazol-1-yl-3-pyridinyl)boronic acid?
The InChIKey is PDYAJDWXLGCUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BN3O2/c13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12/h1-6,13-14H.
What are the key properties of (6-pyrazol-1-yl-3-pyridinyl)boronic acid?
(6-pyrazol-1-yl-3-pyridinyl)boronic acid has a molecular weight of 188.98 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrazol-1-yl-3-pyridinyl)boronic acid is sourced from PubChem (CID 124707516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).