6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C15H9F3N2O3 — CID 58016487

IUPAC6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2[nH]1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)9-2-4-10(5-3-9)20-12(21)6-1-8-7-11(14(22)23)19-13(8)20/h1-7,19H,(H,22,23)
InChIKeyHZQMXAGXZCIVOA-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.04
Rot. Bonds2

About 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 58016487) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID58016487
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2[nH]1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)9-2-4-10(5-3-9)20-12(21)6-1-8-7-11(14(22)23)19-13(8)20/h1-7,19H,(H,22,23)
InChIKeyHZQMXAGXZCIVOA-UHFFFAOYSA-N
XLogP3.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 58016487) is 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2[nH]1.
What is the InChIKey of 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is HZQMXAGXZCIVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-15(17,18)9-2-4-10(5-3-9)20-12(21)6-1-8-7-11(14(22)23)19-13(8)20/h1-7,19H,(H,22,23).
What are the key properties of 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 322.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 58016487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).