4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid

C11H10ClNO4 — CID 55250200

IUPAC4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
SMILESCOc1cc2[nH]c(C(=O)O)cc2c(Cl)c1OC
InChIInChI=1S/C11H10ClNO4/c1-16-8-4-6-5(9(12)10(8)17-2)3-7(13-6)11(14)15/h3-4,13H,1-2H3,(H,14,15)
InChIKeySJBLEWRRGPWSDC-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.54
Rot. Bonds3

About 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid

4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid (PubChem CID 55250200) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
PubChem CID55250200
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
SMILESCOc1cc2[nH]c(C(=O)O)cc2c(Cl)c1OC
InChIInChI=1S/C11H10ClNO4/c1-16-8-4-6-5(9(12)10(8)17-2)3-7(13-6)11(14)15/h3-4,13H,1-2H3,(H,14,15)
InChIKeySJBLEWRRGPWSDC-UHFFFAOYSA-N
XLogP2.54
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
CID 131380189
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
5-chlorosulfonyl-4-methoxy-1H-indole-2-carboxylic acid
CID 82378257
3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2,5-dicarboxylic acid
CID 24881648
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
CID 12908178
7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193
5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-4,6-dichloro-1H-indole-2-carboxylic acid
CID 172556716
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913
6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
CID 135358549

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid (CID 55250200) is 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid is COc1cc2[nH]c(C(=O)O)cc2c(Cl)c1OC.
What is the InChIKey of 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid?
The InChIKey is SJBLEWRRGPWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c1-16-8-4-6-5(9(12)10(8)17-2)3-7(13-6)11(14)15/h3-4,13H,1-2H3,(H,14,15).
What are the key properties of 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid?
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 55250200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).