6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid

C17H11FN2O2 — CID 22902298

IUPAC6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid
SMILESCC1=C(C(=O)O)N=c2cc3c(c(C)c21)=Nc1ccc(F)cc1-3
InChIInChI=1S/C17H11FN2O2/c1-7-14-8(2)16(17(21)22)20-13(14)6-11-10-5-9(18)3-4-12(10)19-15(7)11/h3-6H,1-2H3,(H,21,22)
InChIKeyZKNJJSIPGNAJSV-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.51
Rot. Bonds1

About 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid

6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid (PubChem CID 22902298) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid
PubChem CID22902298
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid
SMILESCC1=C(C(=O)O)N=c2cc3c(c(C)c21)=Nc1ccc(F)cc1-3
InChIInChI=1S/C17H11FN2O2/c1-7-14-8(2)16(17(21)22)20-13(14)6-11-10-5-9(18)3-4-12(10)19-15(7)11/h3-6H,1-2H3,(H,21,22)
InChIKeyZKNJJSIPGNAJSV-UHFFFAOYSA-N
XLogP2.51
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
The IUPAC name of 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid (CID 22902298) is 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid is CC1=C(C(=O)O)N=c2cc3c(c(C)c21)=Nc1ccc(F)cc1-3.
What is the InChIKey of 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
The InChIKey is ZKNJJSIPGNAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c1-7-14-8(2)16(17(21)22)20-13(14)6-11-10-5-9(18)3-4-12(10)19-15(7)11/h3-6H,1-2H3,(H,21,22).
What are the key properties of 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid?
6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylic acid is sourced from PubChem (CID 22902298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).