5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid

C10H10ClNO2 — CID 141148713

IUPAC5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid
SMILESCc1cc2c(cc1Cl)CN(C(=O)O)C2
InChIInChI=1S/C10H10ClNO2/c1-6-2-7-4-12(10(13)14)5-8(7)3-9(6)11/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyJQNXJXGBQXLWBM-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.64
Rot. Bonds

About 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid

5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid (PubChem CID 141148713) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid
PubChem CID141148713
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid
SMILESCc1cc2c(cc1Cl)CN(C(=O)O)C2
InChIInChI=1S/C10H10ClNO2/c1-6-2-7-4-12(10(13)14)5-8(7)3-9(6)11/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyJQNXJXGBQXLWBM-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid?
The IUPAC name of 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid (CID 141148713) is 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid is Cc1cc2c(cc1Cl)CN(C(=O)O)C2.
What is the InChIKey of 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid?
The InChIKey is JQNXJXGBQXLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-6-2-7-4-12(10(13)14)5-8(7)3-9(6)11/h2-3H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid?
5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid is sourced from PubChem (CID 141148713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).