3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid

C13H9FN2O2 — CID 82385944

IUPAC3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H9FN2O2/c14-7-1-2-11-9(5-7)10(6-16-11)8-3-4-15-12(8)13(17)18/h1-6,15-16H,(H,17,18)
InChIKeyZFAUJOKNJXGLQE-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.00
Rot. Bonds2

About 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid

3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 82385944) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID82385944
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H9FN2O2/c14-7-1-2-11-9(5-7)10(6-16-11)8-3-4-15-12(8)13(17)18/h1-6,15-16H,(H,17,18)
InChIKeyZFAUJOKNJXGLQE-UHFFFAOYSA-N
XLogP3.00
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985983
5-fluoro-1H-indol-3-ol
CID 90083452
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
4-(5-fluoro-1H-indol-3-yl)-4-oxobut-2-enoic acid
CID 77054977
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
(5-fluoro-1H-indol-3-yl)urea
CID 167168212

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid (CID 82385944) is 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZFAUJOKNJXGLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-7-1-2-11-9(5-7)10(6-16-11)8-3-4-15-12(8)13(17)18/h1-6,15-16H,(H,17,18).
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 244.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 82385944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).