2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7IN2 — CID 134375745

IUPAC2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESIc1cc2c([nH]1)=NCCC=2
InChIInChI=1S/C7H7IN2/c8-6-4-5-2-1-3-9-7(5)10-6/h2,4H,1,3H2,(H,9,10)
InChIKeyVTGDIVUSBRERSG-UHFFFAOYSA-N
MW246.05 g/mol
LogP0.42
Rot. Bonds

About 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134375745) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID134375745
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESIc1cc2c([nH]1)=NCCC=2
InChIInChI=1S/C7H7IN2/c8-6-4-5-2-1-3-9-7(5)10-6/h2,4H,1,3H2,(H,9,10)
InChIKeyVTGDIVUSBRERSG-UHFFFAOYSA-N
XLogP0.42
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 134375745) is 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is Ic1cc2c([nH]1)=NCCC=2.
What is the InChIKey of 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VTGDIVUSBRERSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2/c8-6-4-5-2-1-3-9-7(5)10-6/h2,4H,1,3H2,(H,9,10).
What are the key properties of 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 246.05 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134375745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).