6-fluoro-1H-carbazole-3-carboxylic acid

C13H8FNO2 — CID 159648857

IUPAC6-fluoro-1H-carbazole-3-carboxylic acid
SMILESO=C(O)C1=CCC2=Nc3ccc(F)cc3C2=C1
InChIInChI=1S/C13H8FNO2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h1-2,4-6H,3H2,(H,16,17)
InChIKeyMRHRQQQYZXPESO-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.71
Rot. Bonds1

About 6-fluoro-1H-carbazole-3-carboxylic acid

6-fluoro-1H-carbazole-3-carboxylic acid (PubChem CID 159648857) has the molecular formula C13H8FNO2 and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-fluoro-1H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1H-carbazole-3-carboxylic acid
PubChem CID159648857
Molecular FormulaC13H8FNO2
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name6-fluoro-1H-carbazole-3-carboxylic acid
SMILESO=C(O)C1=CCC2=Nc3ccc(F)cc3C2=C1
InChIInChI=1S/C13H8FNO2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h1-2,4-6H,3H2,(H,16,17)
InChIKeyMRHRQQQYZXPESO-UHFFFAOYSA-N
XLogP2.71
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-carbazole-3-carboxylic acid?
The IUPAC name of 6-fluoro-1H-carbazole-3-carboxylic acid (CID 159648857) is 6-fluoro-1H-carbazole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1H-carbazole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1H-carbazole-3-carboxylic acid is O=C(O)C1=CCC2=Nc3ccc(F)cc3C2=C1.
What is the InChIKey of 6-fluoro-1H-carbazole-3-carboxylic acid?
The InChIKey is MRHRQQQYZXPESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2/c14-8-2-4-12-10(6-8)9-5-7(13(16)17)1-3-11(9)15-12/h1-2,4-6H,3H2,(H,16,17).
What are the key properties of 6-fluoro-1H-carbazole-3-carboxylic acid?
6-fluoro-1H-carbazole-3-carboxylic acid has a molecular weight of 229.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-carbazole-3-carboxylic acid is sourced from PubChem (CID 159648857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).