4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid

C11H9ClFNO3 — CID 170994441

IUPAC4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1cc(F)c(Cl)c2cc(C(=O)O)n(C)c12
InChIInChI=1S/C11H9ClFNO3/c1-14-7(11(15)16)3-5-9(12)6(13)4-8(17-2)10(5)14/h3-4H,1-2H3,(H,15,16)
InChIKeyLGWUXDMJTVHCGW-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.68
Rot. Bonds2

About 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid

4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid (PubChem CID 170994441) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid
PubChem CID170994441
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Name4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1cc(F)c(Cl)c2cc(C(=O)O)n(C)c12
InChIInChI=1S/C11H9ClFNO3/c1-14-7(11(15)16)3-5-9(12)6(13)4-8(17-2)10(5)14/h3-4H,1-2H3,(H,15,16)
InChIKeyLGWUXDMJTVHCGW-UHFFFAOYSA-N
XLogP2.68
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
CID 130408616
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
1-(4-bromo-3-methoxyphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606378
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid (CID 170994441) is 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid is COc1cc(F)c(Cl)c2cc(C(=O)O)n(C)c12.
What is the InChIKey of 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid?
The InChIKey is LGWUXDMJTVHCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c1-14-7(11(15)16)3-5-9(12)6(13)4-8(17-2)10(5)14/h3-4H,1-2H3,(H,15,16).
What are the key properties of 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid?
4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid has a molecular weight of 257.65 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 170994441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).