1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid

C14H9BrN2O3 — CID 150632506

IUPAC1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid
SMILESNC(=O)c1cccc2c1[nH]c1c(Br)c(C(=O)O)ccc12
InChIInChI=1S/C14H9BrN2O3/c15-10-8(14(19)20)5-4-7-6-2-1-3-9(13(16)18)11(6)17-12(7)10/h1-5,17H,(H2,16,18)(H,19,20)
InChIKeyIYELVTOWUURRDL-UHFFFAOYSA-N
MW333.14 g/mol
LogP2.88
Rot. Bonds2

About 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid

1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid (PubChem CID 150632506) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid
PubChem CID150632506
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid
SMILESNC(=O)c1cccc2c1[nH]c1c(Br)c(C(=O)O)ccc12
InChIInChI=1S/C14H9BrN2O3/c15-10-8(14(19)20)5-4-7-6-2-1-3-9(13(16)18)11(6)17-12(7)10/h1-5,17H,(H2,16,18)(H,19,20)
InChIKeyIYELVTOWUURRDL-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 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid?
The IUPAC name of 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid (CID 150632506) is 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid.
What is the SMILES notation for 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid?
The canonical SMILES for 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid is NC(=O)c1cccc2c1[nH]c1c(Br)c(C(=O)O)ccc12.
What is the InChIKey of 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid?
The InChIKey is IYELVTOWUURRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-10-8(14(19)20)5-4-7-6-2-1-3-9(13(16)18)11(6)17-12(7)10/h1-5,17H,(H2,16,18)(H,19,20).
What are the key properties of 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid?
1-bromo-8-carbamoyl-9H-carbazole-2-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 1-bromo-8-carbamoyl-9H-carbazole-2-carboxylic acid is sourced from PubChem (CID 150632506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).