6-fluoro-4-methoxy-1H-indole-2-carboxylic acid

C10H8FNO3 — CID 67227038

IUPAC6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1cc(F)cc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C10H8FNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyFMYHJHUNKLAGJB-UHFFFAOYSA-N
MW209.18 g/mol
LogP2.01
Rot. Bonds2

About 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid

6-fluoro-4-methoxy-1H-indole-2-carboxylic acid (PubChem CID 67227038) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
PubChem CID67227038
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1cc(F)cc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C10H8FNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyFMYHJHUNKLAGJB-UHFFFAOYSA-N
XLogP2.01
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid (CID 67227038) is 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid is COc1cc(F)cc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid?
The InChIKey is FMYHJHUNKLAGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14).
What are the key properties of 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid?
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 67227038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).