2H-carbazole-3-carboxylic acid

C13H9NO2 — CID 18428423

IUPAC2H-carbazole-3-carboxylic acid
SMILESO=C(O)C1=CC2=c3ccccc3=NC2=CC1
InChIInChI=1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,6-7H,5H2,(H,15,16)
InChIKeyVIXWHDBKGLJZBT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.77
Rot. Bonds1

About 2H-carbazole-3-carboxylic acid

2H-carbazole-3-carboxylic acid (PubChem CID 18428423) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name2H-carbazole-3-carboxylic acid
PubChem CID18428423
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2H-carbazole-3-carboxylic acid
SMILESO=C(O)C1=CC2=c3ccccc3=NC2=CC1
InChIInChI=1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,6-7H,5H2,(H,15,16)
InChIKeyVIXWHDBKGLJZBT-UHFFFAOYSA-N
XLogP0.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-carbazole-3-carboxylic acid?
The IUPAC name of 2H-carbazole-3-carboxylic acid (CID 18428423) is 2H-carbazole-3-carboxylic acid.
What is the SMILES notation for 2H-carbazole-3-carboxylic acid?
The canonical SMILES for 2H-carbazole-3-carboxylic acid is O=C(O)C1=CC2=c3ccccc3=NC2=CC1.
What is the InChIKey of 2H-carbazole-3-carboxylic acid?
The InChIKey is VIXWHDBKGLJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,6-7H,5H2,(H,15,16).
What are the key properties of 2H-carbazole-3-carboxylic acid?
2H-carbazole-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-carbazole-3-carboxylic acid is sourced from PubChem (CID 18428423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).