6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

C15H9F3N2O3 — CID 150591696

IUPAC6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1ccc2ccc(-c3ccccc3OC(F)(F)F)nc21
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-4-2-1-3-10(12)11-6-5-9-7-8-20(14(21)22)13(9)19-11/h1-8H,(H,21,22)
InChIKeyIPZWPRIXYIVWIN-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.13
Rot. Bonds2

About 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid

6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (PubChem CID 150591696) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
PubChem CID150591696
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid
SMILESO=C(O)n1ccc2ccc(-c3ccccc3OC(F)(F)F)nc21
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-4-2-1-3-10(12)11-6-5-9-7-8-20(14(21)22)13(9)19-11/h1-8H,(H,21,22)
InChIKeyIPZWPRIXYIVWIN-UHFFFAOYSA-N
XLogP4.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid (CID 150591696) is 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is O=C(O)n1ccc2ccc(-c3ccccc3OC(F)(F)F)nc21.
What is the InChIKey of 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
The InChIKey is IPZWPRIXYIVWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-4-2-1-3-10(12)11-6-5-9-7-8-20(14(21)22)13(9)19-11/h1-8H,(H,21,22).
What are the key properties of 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid?
6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid has a molecular weight of 322.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 150591696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).