(5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H6I2N2 — CID 118672083

IUPAC(5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2c1=C[C@@H](I)CN=2
InChIInChI=1S/C7H6I2N2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1,3-4H,2H2,(H,10,11)/t4-/m1/s1
InChIKeyZIDVPAVSDPHWHN-SCSAIBSYSA-N
MW371.95 g/mol
LogP0.84
Rot. Bonds

About (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

(5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118672083) has the molecular formula C7H6I2N2 and a molecular weight of 371.95 g/mol. Its IUPAC name is (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID118672083
Molecular FormulaC7H6I2N2
Molecular Weight371.95 g/mol
Exact Mass371.86
IUPAC Name(5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2c1=C[C@@H](I)CN=2
InChIInChI=1S/C7H6I2N2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1,3-4H,2H2,(H,10,11)/t4-/m1/s1
InChIKeyZIDVPAVSDPHWHN-SCSAIBSYSA-N
XLogP0.84
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[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 (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 118672083) is (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is Ic1c[nH]c2c1=C[C@@H](I)CN=2.
What is the InChIKey of (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZIDVPAVSDPHWHN-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H6I2N2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1,3-4H,2H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
(5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 371.95 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-diiodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118672083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).