7-fluoro-3-phenyl-1H-indole-2-carboxylic acid

C15H10FNO2 — CID 70139049

IUPAC7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(F)cccc2c1-c1ccccc1
InChIInChI=1S/C15H10FNO2/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)14(15(18)19)17-13(10)11/h1-8,17H,(H,18,19)
InChIKeyVWHDDDJBQHMMDQ-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.67
Rot. Bonds2

About 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid

7-fluoro-3-phenyl-1H-indole-2-carboxylic acid (PubChem CID 70139049) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
PubChem CID70139049
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(F)cccc2c1-c1ccccc1
InChIInChI=1S/C15H10FNO2/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)14(15(18)19)17-13(10)11/h1-8,17H,(H,18,19)
InChIKeyVWHDDDJBQHMMDQ-UHFFFAOYSA-N
XLogP3.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid (CID 70139049) is 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(F)cccc2c1-c1ccccc1.
What is the InChIKey of 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid?
The InChIKey is VWHDDDJBQHMMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)14(15(18)19)17-13(10)11/h1-8,17H,(H,18,19).
What are the key properties of 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid?
7-fluoro-3-phenyl-1H-indole-2-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-phenyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 70139049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).