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

C7H6ClIN2 — CID 89260631

IUPAC5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1C=c2cc[nH]c2=NC1I
InChIInChI=1S/C7H6ClIN2/c8-5-3-4-1-2-10-7(4)11-6(5)9/h1-3,5-6H,(H,10,11)
InChIKeyKVJXDLLGLYLDTL-UHFFFAOYSA-N
MW280.50 g/mol
LogP0.80
Rot. Bonds

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

5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89260631) has the molecular formula C7H6ClIN2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89260631
Molecular FormulaC7H6ClIN2
Molecular Weight280.50 g/mol
Exact Mass279.93
IUPAC Name5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC1C=c2cc[nH]c2=NC1I
InChIInChI=1S/C7H6ClIN2/c8-5-3-4-1-2-10-7(4)11-6(5)9/h1-3,5-6H,(H,10,11)
InChIKeyKVJXDLLGLYLDTL-UHFFFAOYSA-N
XLogP0.80
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 50.80
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89260631) is 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is ClC1C=c2cc[nH]c2=NC1I.
What is the InChIKey of 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KVJXDLLGLYLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClIN2/c8-5-3-4-1-2-10-7(4)11-6(5)9/h1-3,5-6H,(H,10,11).
What are the key properties of 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 280.50 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89260631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).