(2-ethylindazol-5-yl)boronic acid

C9H11BN2O2 — CID 75485761

IUPAC(2-ethylindazol-5-yl)boronic acid
SMILESCCn1cc2cc(B(O)O)ccc2n1
InChIInChI=1S/C9H11BN2O2/c1-2-12-6-7-5-8(10(13)14)3-4-9(7)11-12/h3-6,13-14H,2H2,1H3
InChIKeyJEAFIZVMYCUTCK-UHFFFAOYSA-N
MW190.01 g/mol
LogP-0.26
Rot. Bonds2

About (2-ethylindazol-5-yl)boronic acid

(2-ethylindazol-5-yl)boronic acid (PubChem CID 75485761) has the molecular formula C9H11BN2O2 and a molecular weight of 190.01 g/mol. Its IUPAC name is (2-ethylindazol-5-yl)boronic acid.

Molecular Properties

Compound Name(2-ethylindazol-5-yl)boronic acid
PubChem CID75485761
Molecular FormulaC9H11BN2O2
Molecular Weight190.01 g/mol
Exact Mass190.09
IUPAC Name(2-ethylindazol-5-yl)boronic acid
SMILESCCn1cc2cc(B(O)O)ccc2n1
InChIInChI=1S/C9H11BN2O2/c1-2-12-6-7-5-8(10(13)14)3-4-9(7)11-12/h3-6,13-14H,2H2,1H3
InChIKeyJEAFIZVMYCUTCK-UHFFFAOYSA-N
XLogP-0.26
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 5-0.26
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-ethylindazol-5-yl)boronic acid?
The IUPAC name of (2-ethylindazol-5-yl)boronic acid (CID 75485761) is (2-ethylindazol-5-yl)boronic acid.
What is the SMILES notation for (2-ethylindazol-5-yl)boronic acid?
The canonical SMILES for (2-ethylindazol-5-yl)boronic acid is CCn1cc2cc(B(O)O)ccc2n1.
What is the InChIKey of (2-ethylindazol-5-yl)boronic acid?
The InChIKey is JEAFIZVMYCUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BN2O2/c1-2-12-6-7-5-8(10(13)14)3-4-9(7)11-12/h3-6,13-14H,2H2,1H3.
What are the key properties of (2-ethylindazol-5-yl)boronic acid?
(2-ethylindazol-5-yl)boronic acid has a molecular weight of 190.01 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylindazol-5-yl)boronic acid is sourced from PubChem (CID 75485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).