1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid

C7H7BN2O2 — CID 52982877

IUPAC1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
SMILESOB(O)c1c[nH]c2cnccc12
InChIInChI=1S/C7H7BN2O2/c11-8(12)6-3-10-7-4-9-2-1-5(6)7/h1-4,10-12H
InChIKeyQKBURKIYALPNPW-UHFFFAOYSA-N
MW161.96 g/mol
LogP-0.76
Rot. Bonds1

About 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid

1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid (PubChem CID 52982877) has the molecular formula C7H7BN2O2 and a molecular weight of 161.96 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid.

Molecular Properties

Compound Name1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
PubChem CID52982877
Molecular FormulaC7H7BN2O2
Molecular Weight161.96 g/mol
Exact Mass162.06
IUPAC Name1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
SMILESOB(O)c1c[nH]c2cnccc12
InChIInChI=1S/C7H7BN2O2/c11-8(12)6-3-10-7-4-9-2-1-5(6)7/h1-4,10-12H
InChIKeyQKBURKIYALPNPW-UHFFFAOYSA-N
XLogP-0.76
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.96
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid?
The IUPAC name of 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid (CID 52982877) is 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid.
What is the SMILES notation for 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid?
The canonical SMILES for 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid is OB(O)c1c[nH]c2cnccc12.
What is the InChIKey of 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid?
The InChIKey is QKBURKIYALPNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O2/c11-8(12)6-3-10-7-4-9-2-1-5(6)7/h1-4,10-12H.
What are the key properties of 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid?
1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid has a molecular weight of 161.96 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid is sourced from PubChem (CID 52982877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).