(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone

C15H8BrF3N2O — CID 58086354

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C15H8BrF3N2O/c16-10-5-11-12(7-21-14(11)20-6-10)13(22)8-2-1-3-9(4-8)15(17,18)19/h1-7H,(H,20,21)
InChIKeyOZJXQYLOOPQKSM-UHFFFAOYSA-N
MW369.14 g/mol
LogP4.58
Rot. Bonds2

About (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 58086354) has the molecular formula C15H8BrF3N2O and a molecular weight of 369.14 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID58086354
Molecular FormulaC15H8BrF3N2O
Molecular Weight369.14 g/mol
Exact Mass367.98
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C15H8BrF3N2O/c16-10-5-11-12(7-21-14(11)20-6-10)13(22)8-2-1-3-9(4-8)15(17,18)19/h1-7H,(H,20,21)
InChIKeyOZJXQYLOOPQKSM-UHFFFAOYSA-N
XLogP4.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 58086354) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OZJXQYLOOPQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O/c16-10-5-11-12(7-21-14(11)20-6-10)13(22)8-2-1-3-9(4-8)15(17,18)19/h1-7H,(H,20,21).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 369.14 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 58086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).