3-chloro-4-methoxy-1-methylindole-2-carboxylic acid

C11H10ClNO3 — CID 102544072

IUPAC3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1cccc2c1c(Cl)c(C(=O)O)n2C
InChIInChI=1S/C11H10ClNO3/c1-13-6-4-3-5-7(16-2)8(6)9(12)10(13)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyJPOPMPVZLVUGEI-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.54
Rot. Bonds2

About 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid

3-chloro-4-methoxy-1-methylindole-2-carboxylic acid (PubChem CID 102544072) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
PubChem CID102544072
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1cccc2c1c(Cl)c(C(=O)O)n2C
InChIInChI=1S/C11H10ClNO3/c1-13-6-4-3-5-7(16-2)8(6)9(12)10(13)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyJPOPMPVZLVUGEI-UHFFFAOYSA-N
XLogP2.54
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
CID 115042358
3-bromo-1,4-dimethylindole-2-carboxylic acid
CID 115049841
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
CID 115045950
3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide
CID 55912370
3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
CID 22330748
3-fluoro-4-methoxy-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid
CID 162695262
4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 122558064
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
4-chloro-7-methoxy-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84642947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid (CID 102544072) is 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid is COc1cccc2c1c(Cl)c(C(=O)O)n2C.
What is the InChIKey of 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid?
The InChIKey is JPOPMPVZLVUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-13-6-4-3-5-7(16-2)8(6)9(12)10(13)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid?
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 102544072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).