6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid

C14H9BrN2O3 — CID 90375367

IUPAC6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid
SMILESNC(=O)c1cc(Br)cc2c1[nH]c1ccc(C(=O)O)cc12
InChIInChI=1S/C14H9BrN2O3/c15-7-4-9-8-3-6(14(19)20)1-2-11(8)17-12(9)10(5-7)13(16)18/h1-5,17H,(H2,16,18)(H,19,20)
InChIKeyXOAAAPAJFMOQSK-UHFFFAOYSA-N
MW333.14 g/mol
LogP2.88
Rot. Bonds2

About 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid

6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid (PubChem CID 90375367) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid
PubChem CID90375367
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid
SMILESNC(=O)c1cc(Br)cc2c1[nH]c1ccc(C(=O)O)cc12
InChIInChI=1S/C14H9BrN2O3/c15-7-4-9-8-3-6(14(19)20)1-2-11(8)17-12(9)10(5-7)13(16)18/h1-5,17H,(H2,16,18)(H,19,20)
InChIKeyXOAAAPAJFMOQSK-UHFFFAOYSA-N
XLogP2.88
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid?
The IUPAC name of 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid (CID 90375367) is 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid.
What is the SMILES notation for 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid?
The canonical SMILES for 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid is NC(=O)c1cc(Br)cc2c1[nH]c1ccc(C(=O)O)cc12.
What is the InChIKey of 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid?
The InChIKey is XOAAAPAJFMOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-7-4-9-8-3-6(14(19)20)1-2-11(8)17-12(9)10(5-7)13(16)18/h1-5,17H,(H2,16,18)(H,19,20).
What are the key properties of 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid?
6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid has a molecular weight of 333.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-carbamoyl-9H-carbazole-3-carboxylic acid is sourced from PubChem (CID 90375367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).