6-bromo-9-ethylcarbazole-3-carboxylic acid

C15H12BrNO2 — CID 135044992

IUPAC6-bromo-9-ethylcarbazole-3-carboxylic acid
SMILESCCn1c2ccc(Br)cc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H12BrNO2/c1-2-17-13-5-3-9(15(18)19)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3,(H,18,19)
InChIKeyWWODRAMGVIKBGZ-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.28
Rot. Bonds2

About 6-bromo-9-ethylcarbazole-3-carboxylic acid

6-bromo-9-ethylcarbazole-3-carboxylic acid (PubChem CID 135044992) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-bromo-9-ethylcarbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-9-ethylcarbazole-3-carboxylic acid
PubChem CID135044992
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name6-bromo-9-ethylcarbazole-3-carboxylic acid
SMILESCCn1c2ccc(Br)cc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H12BrNO2/c1-2-17-13-5-3-9(15(18)19)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3,(H,18,19)
InChIKeyWWODRAMGVIKBGZ-UHFFFAOYSA-N
XLogP4.28
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-ethylcarbazole-3-carboxylic acid?
The IUPAC name of 6-bromo-9-ethylcarbazole-3-carboxylic acid (CID 135044992) is 6-bromo-9-ethylcarbazole-3-carboxylic acid.
What is the SMILES notation for 6-bromo-9-ethylcarbazole-3-carboxylic acid?
The canonical SMILES for 6-bromo-9-ethylcarbazole-3-carboxylic acid is CCn1c2ccc(Br)cc2c2cc(C(=O)O)ccc21.
What is the InChIKey of 6-bromo-9-ethylcarbazole-3-carboxylic acid?
The InChIKey is WWODRAMGVIKBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-2-17-13-5-3-9(15(18)19)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 6-bromo-9-ethylcarbazole-3-carboxylic acid?
6-bromo-9-ethylcarbazole-3-carboxylic acid has a molecular weight of 318.17 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-ethylcarbazole-3-carboxylic acid is sourced from PubChem (CID 135044992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).