4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

C13H11BrFNO2 — CID 130362929

IUPAC4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESO=C(O)c1cc(F)c(Br)c2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H11BrFNO2/c14-11-8(15)5-7(13(17)18)12-10(11)6-3-1-2-4-9(6)16-12/h5,16H,1-4H2,(H,17,18)
InChIKeySTYVOTGNVKRVJZ-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.65
Rot. Bonds1

About 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (PubChem CID 130362929) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
PubChem CID130362929
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESO=C(O)c1cc(F)c(Br)c2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H11BrFNO2/c14-11-8(15)5-7(13(17)18)12-10(11)6-3-1-2-4-9(6)16-12/h5,16H,1-4H2,(H,17,18)
InChIKeySTYVOTGNVKRVJZ-UHFFFAOYSA-N
XLogP3.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The IUPAC name of 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (CID 130362929) is 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.
What is the SMILES notation for 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The canonical SMILES for 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is O=C(O)c1cc(F)c(Br)c2c3c([nH]c12)CCCC3.
What is the InChIKey of 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The InChIKey is STYVOTGNVKRVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c14-11-8(15)5-7(13(17)18)12-10(11)6-3-1-2-4-9(6)16-12/h5,16H,1-4H2,(H,17,18).
What are the key properties of 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid has a molecular weight of 312.14 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is sourced from PubChem (CID 130362929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).