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

C9H6FNO2 — CID 11492033

IUPAC6-fluoro-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cc2cc[nH]c2cc1F
InChIInChI=1S/C9H6FNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13)
InChIKeyMDHOVFSMMFAXIY-UHFFFAOYSA-N
MW179.15 g/mol
LogP2.01
Rot. Bonds1

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

6-fluoro-1H-indole-5-carboxylic acid (PubChem CID 11492033) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 6-fluoro-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1H-indole-5-carboxylic acid
PubChem CID11492033
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name6-fluoro-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cc2cc[nH]c2cc1F
InChIInChI=1S/C9H6FNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13)
InChIKeyMDHOVFSMMFAXIY-UHFFFAOYSA-N
XLogP2.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indole-5-carboxylic acid?
The IUPAC name of 6-fluoro-1H-indole-5-carboxylic acid (CID 11492033) is 6-fluoro-1H-indole-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-1H-indole-5-carboxylic acid?
The canonical SMILES for 6-fluoro-1H-indole-5-carboxylic acid is O=C(O)c1cc2cc[nH]c2cc1F.
What is the InChIKey of 6-fluoro-1H-indole-5-carboxylic acid?
The InChIKey is MDHOVFSMMFAXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h1-4,11H,(H,12,13).
What are the key properties of 6-fluoro-1H-indole-5-carboxylic acid?
6-fluoro-1H-indole-5-carboxylic acid has a molecular weight of 179.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole-5-carboxylic acid is sourced from PubChem (CID 11492033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).