4-amino-5-fluoro-1-methylindole-6-carboxylic acid

C10H9FN2O2 — CID 84675859

IUPAC4-amino-5-fluoro-1-methylindole-6-carboxylic acid
SMILESCn1ccc2c(N)c(F)c(C(=O)O)cc21
InChIInChI=1S/C10H9FN2O2/c1-13-3-2-5-7(13)4-6(10(14)15)8(11)9(5)12/h2-4H,12H2,1H3,(H,14,15)
InChIKeyOPEBHOGXROASNS-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.60
Rot. Bonds1

About 4-amino-5-fluoro-1-methylindole-6-carboxylic acid

4-amino-5-fluoro-1-methylindole-6-carboxylic acid (PubChem CID 84675859) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-methylindole-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluoro-1-methylindole-6-carboxylic acid
PubChem CID84675859
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-amino-5-fluoro-1-methylindole-6-carboxylic acid
SMILESCn1ccc2c(N)c(F)c(C(=O)O)cc21
InChIInChI=1S/C10H9FN2O2/c1-13-3-2-5-7(13)4-6(10(14)15)8(11)9(5)12/h2-4H,12H2,1H3,(H,14,15)
InChIKeyOPEBHOGXROASNS-UHFFFAOYSA-N
XLogP1.60
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-methylindole-6-carboxylic acid?
The IUPAC name of 4-amino-5-fluoro-1-methylindole-6-carboxylic acid (CID 84675859) is 4-amino-5-fluoro-1-methylindole-6-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluoro-1-methylindole-6-carboxylic acid?
The canonical SMILES for 4-amino-5-fluoro-1-methylindole-6-carboxylic acid is Cn1ccc2c(N)c(F)c(C(=O)O)cc21.
What is the InChIKey of 4-amino-5-fluoro-1-methylindole-6-carboxylic acid?
The InChIKey is OPEBHOGXROASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13-3-2-5-7(13)4-6(10(14)15)8(11)9(5)12/h2-4H,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-5-fluoro-1-methylindole-6-carboxylic acid?
4-amino-5-fluoro-1-methylindole-6-carboxylic acid has a molecular weight of 208.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-methylindole-6-carboxylic acid is sourced from PubChem (CID 84675859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).