5-fluoro-2H-indole-3-carboxylic acid

C9H6FNO2 — CID 124517538

IUPAC5-fluoro-2H-indole-3-carboxylic acid
SMILESO=C(O)C1=c2cc(F)ccc2=NC1
InChIInChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-3H,4H2,(H,12,13)
InChIKeyPACXYWPQSPAOOA-UHFFFAOYSA-N
MW179.15 g/mol
LogP-0.31
Rot. Bonds1

About 5-fluoro-2H-indole-3-carboxylic acid

5-fluoro-2H-indole-3-carboxylic acid (PubChem CID 124517538) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-fluoro-2H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2H-indole-3-carboxylic acid
PubChem CID124517538
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name5-fluoro-2H-indole-3-carboxylic acid
SMILESO=C(O)C1=c2cc(F)ccc2=NC1
InChIInChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-3H,4H2,(H,12,13)
InChIKeyPACXYWPQSPAOOA-UHFFFAOYSA-N
XLogP-0.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Carboxyindole-2-one
CID 46739852
(2S)-2-(trifluoromethyl)-2H-benzimidazole-5-carboxylic acid
CID 124420420
(2R)-2-(trifluoromethyl)-2H-benzimidazole-5-carboxylic acid
CID 124420421
2-(trifluoromethyl)-2H-benzo[f]indole-3-carboxylic acid
CID 152488385
2-Oxoindole-3-carboxylic acid
CID 69017646
CID 69846920
CID 69846920
2,2-Dimethylindole-3-carboxylic acid
CID 89998947
1H-cyclopenta[c]pyridine-4-carboxylic acid
CID 117763915
2H-benzimidazole-5-carboxylic acid
CID 117836356
6-hydroxy-2H-indole-3-carboxylic acid
CID 151759824
2-Oxoindole-6-carboxylic acid
CID 153930756
2H-1-benzazepine-8-carboxylic acid
CID 161493713

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2H-indole-3-carboxylic acid?
The IUPAC name of 5-fluoro-2H-indole-3-carboxylic acid (CID 124517538) is 5-fluoro-2H-indole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2H-indole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2H-indole-3-carboxylic acid is O=C(O)C1=c2cc(F)ccc2=NC1.
What is the InChIKey of 5-fluoro-2H-indole-3-carboxylic acid?
The InChIKey is PACXYWPQSPAOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-3H,4H2,(H,12,13).
What are the key properties of 5-fluoro-2H-indole-3-carboxylic acid?
5-fluoro-2H-indole-3-carboxylic acid has a molecular weight of 179.15 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2H-indole-3-carboxylic acid is sourced from PubChem (CID 124517538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).