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

C10H8FNO2 — CID 662546

IUPAC5-fluoro-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(F)ccc21
InChIInChI=1S/C10H8FNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyZOPXUHDPGGHISS-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.02
Rot. Bonds1

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

5-fluoro-1-methylindole-2-carboxylic acid (PubChem CID 662546) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-fluoro-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-methylindole-2-carboxylic acid
PubChem CID662546
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-fluoro-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(F)ccc21
InChIInChI=1S/C10H8FNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyZOPXUHDPGGHISS-UHFFFAOYSA-N
XLogP2.02
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylindole-2-carboxylic acid?
The IUPAC name of 5-fluoro-1-methylindole-2-carboxylic acid (CID 662546) is 5-fluoro-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-methylindole-2-carboxylic acid?
The canonical SMILES for 5-fluoro-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methylindole-2-carboxylic acid?
The InChIKey is ZOPXUHDPGGHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 5-fluoro-1-methylindole-2-carboxylic acid?
5-fluoro-1-methylindole-2-carboxylic acid has a molecular weight of 193.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 662546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).