5-fluoro-6-methyl-1H-indole-3-carboxylic acid

C10H8FNO2 — CID 118644697

IUPAC5-fluoro-6-methyl-1H-indole-3-carboxylic acid
SMILESCc1cc2[nH]cc(C(=O)O)c2cc1F
InChIInChI=1S/C10H8FNO2/c1-5-2-9-6(3-8(5)11)7(4-12-9)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyHKTOTNAYGKVPLG-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.31
Rot. Bonds1

About 5-fluoro-6-methyl-1H-indole-3-carboxylic acid

5-fluoro-6-methyl-1H-indole-3-carboxylic acid (PubChem CID 118644697) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-methyl-1H-indole-3-carboxylic acid
PubChem CID118644697
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-fluoro-6-methyl-1H-indole-3-carboxylic acid
SMILESCc1cc2[nH]cc(C(=O)O)c2cc1F
InChIInChI=1S/C10H8FNO2/c1-5-2-9-6(3-8(5)11)7(4-12-9)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKeyHKTOTNAYGKVPLG-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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Related Compounds

ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
2-(5,6-dimethyl-1H-indol-3-yl)-2-oxoacetaldehyde
CID 174428230
5,6-dimethyl-1H-indole-3-carbonyl chloride
CID 45081910
7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709
5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 67546885
7-fluoro-5-methyl-1H-indole-3-carboxylic acid
CID 130048529
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
1-(5,6-difluoro-1H-indol-3-yl)prop-2-yn-1-one
CID 162444599
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
ethane;methyl 5-fluoro-3-methyl-1H-indole-6-carboxylate
CID 145387851
5-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338224

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-methyl-1H-indole-3-carboxylic acid (CID 118644697) is 5-fluoro-6-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-methyl-1H-indole-3-carboxylic acid is Cc1cc2[nH]cc(C(=O)O)c2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-1H-indole-3-carboxylic acid?
The InChIKey is HKTOTNAYGKVPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-5-2-9-6(3-8(5)11)7(4-12-9)10(13)14/h2-4,12H,1H3,(H,13,14).
What are the key properties of 5-fluoro-6-methyl-1H-indole-3-carboxylic acid?
5-fluoro-6-methyl-1H-indole-3-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 5-fluoro-6-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 118644697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).