7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

C14H14ClNO2 — CID 84639325

IUPAC7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCc1c(Cl)ccc2c3c([nH]c12)CC(C(=O)O)CC3
InChIInChI=1S/C14H14ClNO2/c1-7-11(15)5-4-10-9-3-2-8(14(17)18)6-12(9)16-13(7)10/h4-5,8,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyGMNLJMFYFWSDPL-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.32
Rot. Bonds1

About 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (PubChem CID 84639325) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
PubChem CID84639325
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCc1c(Cl)ccc2c3c([nH]c12)CC(C(=O)O)CC3
InChIInChI=1S/C14H14ClNO2/c1-7-11(15)5-4-10-9-3-2-8(14(17)18)6-12(9)16-13(7)10/h4-5,8,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyGMNLJMFYFWSDPL-UHFFFAOYSA-N
XLogP3.32
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The IUPAC name of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (CID 84639325) is 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The canonical SMILES for 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is Cc1c(Cl)ccc2c3c([nH]c12)CC(C(=O)O)CC3.
What is the InChIKey of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The InChIKey is GMNLJMFYFWSDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-7-11(15)5-4-10-9-3-2-8(14(17)18)6-12(9)16-13(7)10/h4-5,8,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid has a molecular weight of 263.72 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is sourced from PubChem (CID 84639325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).