7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid

C10H8ClNO3 — CID 82104773

IUPAC7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
SMILESCC1C(=O)Nc2c(Cl)cc(C(=O)O)cc21
InChIInChI=1S/C10H8ClNO3/c1-4-6-2-5(10(14)15)3-7(11)8(6)12-9(4)13/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyBPYMYTSEQGMARP-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.09
Rot. Bonds1

About 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid

7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid (PubChem CID 82104773) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
PubChem CID82104773
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
SMILESCC1C(=O)Nc2c(Cl)cc(C(=O)O)cc21
InChIInChI=1S/C10H8ClNO3/c1-4-6-2-5(10(14)15)3-7(11)8(6)12-9(4)13/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyBPYMYTSEQGMARP-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid (CID 82104773) is 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid is CC1C(=O)Nc2c(Cl)cc(C(=O)O)cc21.
What is the InChIKey of 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
The InChIKey is BPYMYTSEQGMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c1-4-6-2-5(10(14)15)3-7(11)8(6)12-9(4)13/h2-4H,1H3,(H,12,13)(H,14,15).
What are the key properties of 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid?
7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 82104773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).