4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine

C9H6BrF2IN2 — CID 138986301

IUPAC4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine
SMILESFC(F)Cn1cc(I)c2c(Br)ccnc21
InChIInChI=1S/C9H6BrF2IN2/c10-5-1-2-14-9-8(5)6(13)3-15(9)4-7(11)12/h1-3,7H,4H2
InChIKeyCDCXQPJCGPRZKU-UHFFFAOYSA-N
MW386.97 g/mol
LogP3.67
Rot. Bonds2

About 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine

4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine (PubChem CID 138986301) has the molecular formula C9H6BrF2IN2 and a molecular weight of 386.97 g/mol. Its IUPAC name is 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine
PubChem CID138986301
Molecular FormulaC9H6BrF2IN2
Molecular Weight386.97 g/mol
Exact Mass385.87
IUPAC Name4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine
SMILESFC(F)Cn1cc(I)c2c(Br)ccnc21
InChIInChI=1S/C9H6BrF2IN2/c10-5-1-2-14-9-8(5)6(13)3-15(9)4-7(11)12/h1-3,7H,4H2
InChIKeyCDCXQPJCGPRZKU-UHFFFAOYSA-N
XLogP3.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.97
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-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 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine (CID 138986301) is 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine is FC(F)Cn1cc(I)c2c(Br)ccnc21.
What is the InChIKey of 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine?
The InChIKey is CDCXQPJCGPRZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2IN2/c10-5-1-2-14-9-8(5)6(13)3-15(9)4-7(11)12/h1-3,7H,4H2.
What are the key properties of 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine?
4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine has a molecular weight of 386.97 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2-difluoroethyl)-3-iodopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 138986301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).