3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid

C11H10FNO3 — CID 83853725

IUPAC3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1ccc2c(c1)c(F)c(C(=O)O)n2C
InChIInChI=1S/C11H10FNO3/c1-13-8-4-3-6(16-2)5-7(8)9(12)10(13)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyIBJKNIYFHFDCQT-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.02
Rot. Bonds2

About 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid

3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid (PubChem CID 83853725) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
PubChem CID83853725
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1ccc2c(c1)c(F)c(C(=O)O)n2C
InChIInChI=1S/C11H10FNO3/c1-13-8-4-3-6(16-2)5-7(8)9(12)10(13)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyIBJKNIYFHFDCQT-UHFFFAOYSA-N
XLogP2.02
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
5-methoxy-N,1-dimethyl-3-methylsulfanylindole-2-carboxamide
CID 57269820
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
(5-methoxy-1,3-dimethylindol-2-yl) phenyl carbonate
CID 44514830
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
CID 54541909
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
3-(3-ethyl-5-methoxy-1-methylindol-2-yl)propanoic acid
CID 138718173

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid (CID 83853725) is 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid is COc1ccc2c(c1)c(F)c(C(=O)O)n2C.
What is the InChIKey of 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid?
The InChIKey is IBJKNIYFHFDCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-13-8-4-3-6(16-2)5-7(8)9(12)10(13)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid?
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 83853725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).