(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid

C11H15BN2O2 — CID 68721308

IUPAC(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid
SMILESCC(C)(C)c1cc2cccnc2n1B(O)O
InChIInChI=1S/C11H15BN2O2/c1-11(2,3)9-7-8-5-4-6-13-10(8)14(9)12(15)16/h4-7,15-16H,1-3H3
InChIKeyBYEOSLIRJCNGEB-UHFFFAOYSA-N
MW218.07 g/mol
LogP1.15
Rot. Bonds1

About (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid

(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid (PubChem CID 68721308) has the molecular formula C11H15BN2O2 and a molecular weight of 218.07 g/mol. Its IUPAC name is (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid.

Molecular Properties

Compound Name(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid
PubChem CID68721308
Molecular FormulaC11H15BN2O2
Molecular Weight218.07 g/mol
Exact Mass218.12
IUPAC Name(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid
SMILESCC(C)(C)c1cc2cccnc2n1B(O)O
InChIInChI=1S/C11H15BN2O2/c1-11(2,3)9-7-8-5-4-6-13-10(8)14(9)12(15)16/h4-7,15-16H,1-3H3
InChIKeyBYEOSLIRJCNGEB-UHFFFAOYSA-N
XLogP1.15
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid?
The IUPAC name of (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid (CID 68721308) is (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid.
What is the SMILES notation for (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid?
The canonical SMILES for (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid is CC(C)(C)c1cc2cccnc2n1B(O)O.
What is the InChIKey of (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid?
The InChIKey is BYEOSLIRJCNGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BN2O2/c1-11(2,3)9-7-8-5-4-6-13-10(8)14(9)12(15)16/h4-7,15-16H,1-3H3.
What are the key properties of (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid?
(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid has a molecular weight of 218.07 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid is sourced from PubChem (CID 68721308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).