3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol

C14H9BrF2N2O2 — CID 58087211

IUPAC3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol
SMILESOc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F
InChIInChI=1S/C14H9BrF2N2O2/c15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(20)12(11)17/h1-5,13,20-21H,(H,18,19)
InChIKeyBGYAOUPTSBFCAM-UHFFFAOYSA-N
MW355.14 g/mol
LogP3.39
Rot. Bonds2

About 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol

3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol (PubChem CID 58087211) has the molecular formula C14H9BrF2N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol.

Molecular Properties

Compound Name3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol
PubChem CID58087211
Molecular FormulaC14H9BrF2N2O2
Molecular Weight355.14 g/mol
Exact Mass353.98
IUPAC Name3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol
SMILESOc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F
InChIInChI=1S/C14H9BrF2N2O2/c15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(20)12(11)17/h1-5,13,20-21H,(H,18,19)
InChIKeyBGYAOUPTSBFCAM-UHFFFAOYSA-N
XLogP3.39
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol 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-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol?
The IUPAC name of 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol (CID 58087211) is 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol.
What is the SMILES notation for 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol?
The canonical SMILES for 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol is Oc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F.
What is the InChIKey of 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol?
The InChIKey is BGYAOUPTSBFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O2/c15-6-3-7-8(5-19-14(7)18-4-6)13(21)11-9(16)1-2-10(20)12(11)17/h1-5,13,20-21H,(H,18,19).
What are the key properties of 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol?
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol has a molecular weight of 355.14 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenol is sourced from PubChem (CID 58087211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).