5-amino-4-fluoro-1H-indole-2-carboxylic acid

C9H7FN2O2 — CID 82401506

IUPAC5-amino-4-fluoro-1H-indole-2-carboxylic acid
SMILESNc1ccc2[nH]c(C(=O)O)cc2c1F
InChIInChI=1S/C9H7FN2O2/c10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11/h1-3,12H,11H2,(H,13,14)
InChIKeyRYLLJEBKRAGQMK-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.59
Rot. Bonds1

About 5-amino-4-fluoro-1H-indole-2-carboxylic acid

5-amino-4-fluoro-1H-indole-2-carboxylic acid (PubChem CID 82401506) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-amino-4-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-fluoro-1H-indole-2-carboxylic acid
PubChem CID82401506
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name5-amino-4-fluoro-1H-indole-2-carboxylic acid
SMILESNc1ccc2[nH]c(C(=O)O)cc2c1F
InChIInChI=1S/C9H7FN2O2/c10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11/h1-3,12H,11H2,(H,13,14)
InChIKeyRYLLJEBKRAGQMK-UHFFFAOYSA-N
XLogP1.59
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-1H-indole-2-carboxylic acid
CID 82380856
4-amino-7-fluoro-1H-indole-2-carboxylic acid
CID 82401505
4-fluoro-2-methyl-1H-indol-5-amine
CID 44558426
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
CID 54427614
5-(aminomethyl)-4-hydroxy-1H-indole-2-carboxylic acid
CID 83819988
5-bromo-3-fluoro-1H-indole-2-carboxylic acid
CID 83853706
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
4-bromo-6-fluoro-1H-indole-2-carboxylic acid
CID 83901550
4-ethyl-5-methyl-1H-indole-2-carboxylic acid
CID 21396319
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600
7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
CID 115007759
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-amino-4-fluoro-1H-indole-2-carboxylic acid (CID 82401506) is 5-amino-4-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-amino-4-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-amino-4-fluoro-1H-indole-2-carboxylic acid is Nc1ccc2[nH]c(C(=O)O)cc2c1F.
What is the InChIKey of 5-amino-4-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is RYLLJEBKRAGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11/h1-3,12H,11H2,(H,13,14).
What are the key properties of 5-amino-4-fluoro-1H-indole-2-carboxylic acid?
5-amino-4-fluoro-1H-indole-2-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82401506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).