(9-ethylcarbazol-3-yl)boronic acid

C14H14BNO2 — CID 45382262

IUPAC(9-ethylcarbazol-3-yl)boronic acid
SMILESCCn1c2ccccc2c2cc(B(O)O)ccc21
InChIInChI=1S/C14H14BNO2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15(17)18)7-8-14(12)16/h3-9,17-18H,2H2,1H3
InChIKeyJUBKLYCRFZTXBA-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.49
Rot. Bonds2

About (9-ethylcarbazol-3-yl)boronic acid

(9-ethylcarbazol-3-yl)boronic acid (PubChem CID 45382262) has the molecular formula C14H14BNO2 and a molecular weight of 239.08 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)boronic acid.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)boronic acid
PubChem CID45382262
Molecular FormulaC14H14BNO2
Molecular Weight239.08 g/mol
Exact Mass239.11
IUPAC Name(9-ethylcarbazol-3-yl)boronic acid
SMILESCCn1c2ccccc2c2cc(B(O)O)ccc21
InChIInChI=1S/C14H14BNO2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15(17)18)7-8-14(12)16/h3-9,17-18H,2H2,1H3
InChIKeyJUBKLYCRFZTXBA-UHFFFAOYSA-N
XLogP1.49
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.49
H-Bond Donors ≤ 52
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 (9-ethylcarbazol-3-yl)boronic acid?
The IUPAC name of (9-ethylcarbazol-3-yl)boronic acid (CID 45382262) is (9-ethylcarbazol-3-yl)boronic acid.
What is the SMILES notation for (9-ethylcarbazol-3-yl)boronic acid?
The canonical SMILES for (9-ethylcarbazol-3-yl)boronic acid is CCn1c2ccccc2c2cc(B(O)O)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)boronic acid?
The InChIKey is JUBKLYCRFZTXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BNO2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15(17)18)7-8-14(12)16/h3-9,17-18H,2H2,1H3.
What are the key properties of (9-ethylcarbazol-3-yl)boronic acid?
(9-ethylcarbazol-3-yl)boronic acid has a molecular weight of 239.08 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 45382262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).