9H-carbazol-1-ylboronic acid

C12H10BNO2 — CID 53421584

IUPAC9H-carbazol-1-ylboronic acid
SMILESOB(O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10BNO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14-16H
InChIKeyRIUUHLXAZCECMM-UHFFFAOYSA-N
MW211.03 g/mol
LogP1.00
Rot. Bonds1

About 9H-carbazol-1-ylboronic acid

9H-carbazol-1-ylboronic acid (PubChem CID 53421584) has the molecular formula C12H10BNO2 and a molecular weight of 211.03 g/mol. Its IUPAC name is 9H-carbazol-1-ylboronic acid.

Molecular Properties

Compound Name9H-carbazol-1-ylboronic acid
PubChem CID53421584
Molecular FormulaC12H10BNO2
Molecular Weight211.03 g/mol
Exact Mass211.08
IUPAC Name9H-carbazol-1-ylboronic acid
SMILESOB(O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10BNO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14-16H
InChIKeyRIUUHLXAZCECMM-UHFFFAOYSA-N
XLogP1.00
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079
11H-benzo[a]carbazol-1-ylboronic acid
CID 176903535
(1-ethyl-9H-carbazol-2-yl)boronic acid
CID 141303113
bis(9H-carbazol-1-yloxy)borinic acid
CID 175014324
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
9H-carbazol-1-ylmethanol
CID 10987211
(2-phenyl-9H-carbazol-1-yl)boronic acid
CID 90240271
9H-carbazole-1-carbaldehyde
CID 11745551
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-1-ylboronic acid?
The IUPAC name of 9H-carbazol-1-ylboronic acid (CID 53421584) is 9H-carbazol-1-ylboronic acid.
What is the SMILES notation for 9H-carbazol-1-ylboronic acid?
The canonical SMILES for 9H-carbazol-1-ylboronic acid is OB(O)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-carbazol-1-ylboronic acid?
The InChIKey is RIUUHLXAZCECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BNO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,14-16H.
What are the key properties of 9H-carbazol-1-ylboronic acid?
9H-carbazol-1-ylboronic acid has a molecular weight of 211.03 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-1-ylboronic acid is sourced from PubChem (CID 53421584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).