(3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

C14H8Br2N2O2 — CID 166063519

IUPAC(3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESO=C(c1cc(Br)c(O)c(Br)c1)n1ccc2cccnc21
InChIInChI=1S/C14H8Br2N2O2/c15-10-6-9(7-11(16)12(10)19)14(20)18-5-3-8-2-1-4-17-13(8)18/h1-7,19H
InChIKeySXUMSIUVXXSRLX-UHFFFAOYSA-N
MW396.04 g/mol
LogP3.96
Rot. Bonds1

About (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

(3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (PubChem CID 166063519) has the molecular formula C14H8Br2N2O2 and a molecular weight of 396.04 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
PubChem CID166063519
Molecular FormulaC14H8Br2N2O2
Molecular Weight396.04 g/mol
Exact Mass393.90
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESO=C(c1cc(Br)c(O)c(Br)c1)n1ccc2cccnc21
InChIInChI=1S/C14H8Br2N2O2/c15-10-6-9(7-11(16)12(10)19)14(20)18-5-3-8-2-1-4-17-13(8)18/h1-7,19H
InChIKeySXUMSIUVXXSRLX-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.04
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone 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 (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (CID 166063519) is (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is O=C(c1cc(Br)c(O)c(Br)c1)n1ccc2cccnc21.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The InChIKey is SXUMSIUVXXSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2/c15-10-6-9(7-11(16)12(10)19)14(20)18-5-3-8-2-1-4-17-13(8)18/h1-7,19H.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
(3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone has a molecular weight of 396.04 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is sourced from PubChem (CID 166063519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).