2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine

C8H6F2N2O — CID 118825995

IUPAC2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)Oc1cc2ncccc2[nH]1
InChIInChI=1S/C8H6F2N2O/c9-8(10)13-7-4-6-5(12-7)2-1-3-11-6/h1-4,8,12H
InChIKeyXHWXXSDQFOGZEZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.16
Rot. Bonds2

About 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine

2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118825995) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
PubChem CID118825995
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
SMILESFC(F)Oc1cc2ncccc2[nH]1
InChIInChI=1S/C8H6F2N2O/c9-8(10)13-7-4-6-5(12-7)2-1-3-11-6/h1-4,8,12H
InChIKeyXHWXXSDQFOGZEZ-UHFFFAOYSA-N
XLogP2.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine 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-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine (CID 118825995) is 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine is FC(F)Oc1cc2ncccc2[nH]1.
What is the InChIKey of 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is XHWXXSDQFOGZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)13-7-4-6-5(12-7)2-1-3-11-6/h1-4,8,12H.
What are the key properties of 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine?
2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 184.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118825995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).