2,7-dimethoxy-9H-carbazole-3-carboxylic acid

C15H13NO4 — CID 504070

IUPAC2,7-dimethoxy-9H-carbazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)[nH]c1cc(OC)c(C(=O)O)cc12
InChIInChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18)
InChIKeyLDKCHJXUOLZQQV-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.04
Rot. Bonds3

About 2,7-dimethoxy-9H-carbazole-3-carboxylic acid

2,7-dimethoxy-9H-carbazole-3-carboxylic acid (PubChem CID 504070) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2,7-dimethoxy-9H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethoxy-9H-carbazole-3-carboxylic acid
PubChem CID504070
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2,7-dimethoxy-9H-carbazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)[nH]c1cc(OC)c(C(=O)O)cc12
InChIInChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18)
InChIKeyLDKCHJXUOLZQQV-UHFFFAOYSA-N
XLogP3.04
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-9H-carbazole-3-carboxylic acid?
The IUPAC name of 2,7-dimethoxy-9H-carbazole-3-carboxylic acid (CID 504070) is 2,7-dimethoxy-9H-carbazole-3-carboxylic acid.
What is the SMILES notation for 2,7-dimethoxy-9H-carbazole-3-carboxylic acid?
The canonical SMILES for 2,7-dimethoxy-9H-carbazole-3-carboxylic acid is COc1ccc2c(c1)[nH]c1cc(OC)c(C(=O)O)cc12.
What is the InChIKey of 2,7-dimethoxy-9H-carbazole-3-carboxylic acid?
The InChIKey is LDKCHJXUOLZQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18).
What are the key properties of 2,7-dimethoxy-9H-carbazole-3-carboxylic acid?
2,7-dimethoxy-9H-carbazole-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-9H-carbazole-3-carboxylic acid is sourced from PubChem (CID 504070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).