7-fluoro-1H-indole-3-carboxylic acid

C9H6FNO2 — CID 28806320

IUPAC7-fluoro-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)
InChIKeyBGNHSQYGVIUBBX-UHFFFAOYSA-N
MW179.15 g/mol
LogP2.01
Rot. Bonds1

About 7-fluoro-1H-indole-3-carboxylic acid

7-fluoro-1H-indole-3-carboxylic acid (PubChem CID 28806320) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 7-fluoro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1H-indole-3-carboxylic acid
PubChem CID28806320
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name7-fluoro-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)
InChIKeyBGNHSQYGVIUBBX-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 7-fluoro-1H-indole-3-carboxylic acid?
The IUPAC name of 7-fluoro-1H-indole-3-carboxylic acid (CID 28806320) is 7-fluoro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-fluoro-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2c(F)cccc12.
What is the InChIKey of 7-fluoro-1H-indole-3-carboxylic acid?
The InChIKey is BGNHSQYGVIUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13).
What are the key properties of 7-fluoro-1H-indole-3-carboxylic acid?
7-fluoro-1H-indole-3-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 7-fluoro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 28806320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).