(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid

C8H10BN3O2 — CID 141489391

IUPAC(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid
SMILESCc1nn(C)c2cc(B(O)O)cnc12
InChIInChI=1S/C8H10BN3O2/c1-5-8-7(12(2)11-5)3-6(4-10-8)9(13)14/h3-4,13-14H,1-2H3
InChIKeyMGGRAQNRTQOUFS-UHFFFAOYSA-N
MW191.00 g/mol
LogP-1.04
Rot. Bonds1

About (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid

(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid (PubChem CID 141489391) has the molecular formula C8H10BN3O2 and a molecular weight of 191.00 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid
PubChem CID141489391
Molecular FormulaC8H10BN3O2
Molecular Weight191.00 g/mol
Exact Mass191.09
IUPAC Name(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid
SMILESCc1nn(C)c2cc(B(O)O)cnc12
InChIInChI=1S/C8H10BN3O2/c1-5-8-7(12(2)11-5)3-6(4-10-8)9(13)14/h3-4,13-14H,1-2H3
InChIKeyMGGRAQNRTQOUFS-UHFFFAOYSA-N
XLogP-1.04
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid?
The IUPAC name of (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid (CID 141489391) is (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid.
What is the SMILES notation for (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid?
The canonical SMILES for (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid is Cc1nn(C)c2cc(B(O)O)cnc12.
What is the InChIKey of (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid?
The InChIKey is MGGRAQNRTQOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN3O2/c1-5-8-7(12(2)11-5)3-6(4-10-8)9(13)14/h3-4,13-14H,1-2H3.
What are the key properties of (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid?
(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid has a molecular weight of 191.00 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)boronic acid is sourced from PubChem (CID 141489391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).