7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

C13H11Cl2NO2 — CID 21399942

IUPAC7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
SMILESO=C(O)C1CCCc2c1[nH]c1c(Cl)c(Cl)ccc21
InChIInChI=1S/C13H11Cl2NO2/c14-9-5-4-7-6-2-1-3-8(13(17)18)11(6)16-12(7)10(9)15/h4-5,8,16H,1-3H2,(H,17,18)
InChIKeyLFKOAJMKZQQAQZ-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.98
Rot. Bonds1

About 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid (PubChem CID 21399942) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
PubChem CID21399942
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
SMILESO=C(O)C1CCCc2c1[nH]c1c(Cl)c(Cl)ccc21
InChIInChI=1S/C13H11Cl2NO2/c14-9-5-4-7-6-2-1-3-8(13(17)18)11(6)16-12(7)10(9)15/h4-5,8,16H,1-3H2,(H,17,18)
InChIKeyLFKOAJMKZQQAQZ-UHFFFAOYSA-N
XLogP3.98
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The IUPAC name of 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid (CID 21399942) is 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The canonical SMILES for 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid is O=C(O)C1CCCc2c1[nH]c1c(Cl)c(Cl)ccc21.
What is the InChIKey of 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The InChIKey is LFKOAJMKZQQAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c14-9-5-4-7-6-2-1-3-8(13(17)18)11(6)16-12(7)10(9)15/h4-5,8,16H,1-3H2,(H,17,18).
What are the key properties of 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid has a molecular weight of 284.14 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid is sourced from PubChem (CID 21399942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).