7-fluoro-6-methyl-1H-indole-2-carboxylic acid

C10H8FNO2 — CID 22338205

IUPAC7-fluoro-6-methyl-1H-indole-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)[nH]c2c1F
InChIInChI=1S/C10H8FNO2/c1-5-2-3-6-4-7(10(13)14)12-9(6)8(5)11/h2-4,12H,1H3,(H,13,14)
InChIKeyNAZLJFZXAFGQNM-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.31
Rot. Bonds1

About 7-fluoro-6-methyl-1H-indole-2-carboxylic acid

7-fluoro-6-methyl-1H-indole-2-carboxylic acid (PubChem CID 22338205) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-6-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6-methyl-1H-indole-2-carboxylic acid
PubChem CID22338205
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-6-methyl-1H-indole-2-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)[nH]c2c1F
InChIInChI=1S/C10H8FNO2/c1-5-2-3-6-4-7(10(13)14)12-9(6)8(5)11/h2-4,12H,1H3,(H,13,14)
InChIKeyNAZLJFZXAFGQNM-UHFFFAOYSA-N
XLogP2.31
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-fluoro-6-methyl-1H-indole-2-carboxylic acid (CID 22338205) is 7-fluoro-6-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-6-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-fluoro-6-methyl-1H-indole-2-carboxylic acid is Cc1ccc2cc(C(=O)O)[nH]c2c1F.
What is the InChIKey of 7-fluoro-6-methyl-1H-indole-2-carboxylic acid?
The InChIKey is NAZLJFZXAFGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-5-2-3-6-4-7(10(13)14)12-9(6)8(5)11/h2-4,12H,1H3,(H,13,14).
What are the key properties of 7-fluoro-6-methyl-1H-indole-2-carboxylic acid?
7-fluoro-6-methyl-1H-indole-2-carboxylic acid has a molecular weight of 193.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 22338205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).