2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide

C15H10F3N3O — CID 86634456

IUPAC2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cnc3[nH]ccc3c2)c1)C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)14(22)21-12-3-1-2-9(7-12)11-6-10-4-5-19-13(10)20-8-11/h1-8H,(H,19,20)(H,21,22)
InChIKeyXFHIVIQMMMKXFA-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.73
Rot. Bonds2

About 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide

2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (PubChem CID 86634456) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
PubChem CID86634456
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cnc3[nH]ccc3c2)c1)C(F)(F)F
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)14(22)21-12-3-1-2-9(7-12)11-6-10-4-5-19-13(10)20-8-11/h1-8H,(H,19,20)(H,21,22)
InChIKeyXFHIVIQMMMKXFA-UHFFFAOYSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (CID 86634456) is 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is O=C(Nc1cccc(-c2cnc3[nH]ccc3c2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The InChIKey is XFHIVIQMMMKXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)14(22)21-12-3-1-2-9(7-12)11-6-10-4-5-19-13(10)20-8-11/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide has a molecular weight of 305.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is sourced from PubChem (CID 86634456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).