4-amino-7-fluoro-1H-indole-2-carboxylic acid

C9H7FN2O2 — CID 82401505

IUPAC4-amino-7-fluoro-1H-indole-2-carboxylic acid
SMILESNc1ccc(F)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C9H7FN2O2/c10-5-1-2-6(11)4-3-7(9(13)14)12-8(4)5/h1-3,12H,11H2,(H,13,14)
InChIKeyRTVPGZZSIBJFAE-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.59
Rot. Bonds1

About 4-amino-7-fluoro-1H-indole-2-carboxylic acid

4-amino-7-fluoro-1H-indole-2-carboxylic acid (PubChem CID 82401505) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-amino-7-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-fluoro-1H-indole-2-carboxylic acid
PubChem CID82401505
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name4-amino-7-fluoro-1H-indole-2-carboxylic acid
SMILESNc1ccc(F)c2[nH]c(C(=O)O)cc12
InChIInChI=1S/C9H7FN2O2/c10-5-1-2-6(11)4-3-7(9(13)14)12-8(4)5/h1-3,12H,11H2,(H,13,14)
InChIKeyRTVPGZZSIBJFAE-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

4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 132842983
5-amino-4-fluoro-1H-indole-2-carboxylic acid
CID 82401506
5-amino-4-bromo-1H-indole-2-carboxylic acid
CID 82380856
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
7-fluoro-2-(4-fluorophenyl)-1H-indol-4-amine
CID 82385922
8-bromo-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517726
7-fluoro-4-(3-fluoro-4-phenoxyanilino)-1H-indole-2-carboxylic acid
CID 165179987
5-fluoro-8-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517714
5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553149
3-amino-6-fluorophthalic acid
CID 142417413
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457533

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-amino-7-fluoro-1H-indole-2-carboxylic acid (CID 82401505) is 4-amino-7-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-amino-7-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-amino-7-fluoro-1H-indole-2-carboxylic acid is Nc1ccc(F)c2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-amino-7-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is RTVPGZZSIBJFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-5-1-2-6(11)4-3-7(9(13)14)12-8(4)5/h1-3,12H,11H2,(H,13,14).
What are the key properties of 4-amino-7-fluoro-1H-indole-2-carboxylic acid?
4-amino-7-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 4-amino-7-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82401505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).