5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid

C14H10ClNO3 — CID 21399949

IUPAC5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid
SMILESCOc1ccc(Cl)c2c1[nH]c1c(C(=O)O)cccc12
InChIInChI=1S/C14H10ClNO3/c1-19-10-6-5-9(15)11-7-3-2-4-8(14(17)18)12(7)16-13(10)11/h2-6,16H,1H3,(H,17,18)
InChIKeyKKMDIQCFUMVJBT-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.68
Rot. Bonds2

About 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid

5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid (PubChem CID 21399949) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid
PubChem CID21399949
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid
SMILESCOc1ccc(Cl)c2c1[nH]c1c(C(=O)O)cccc12
InChIInChI=1S/C14H10ClNO3/c1-19-10-6-5-9(15)11-7-3-2-4-8(14(17)18)12(7)16-13(10)11/h2-6,16H,1H3,(H,17,18)
InChIKeyKKMDIQCFUMVJBT-UHFFFAOYSA-N
XLogP3.68
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid?
The IUPAC name of 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid (CID 21399949) is 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid.
What is the SMILES notation for 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid?
The canonical SMILES for 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid is COc1ccc(Cl)c2c1[nH]c1c(C(=O)O)cccc12.
What is the InChIKey of 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid?
The InChIKey is KKMDIQCFUMVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c1-19-10-6-5-9(15)11-7-3-2-4-8(14(17)18)12(7)16-13(10)11/h2-6,16H,1H3,(H,17,18).
What are the key properties of 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid?
5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid has a molecular weight of 275.69 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid is sourced from PubChem (CID 21399949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).