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

C7H5IN2 — CID 5377078

IUPAC3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncccc12
InChIInChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKeyBTIANIFSBYIGPA-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.17
Rot. Bonds

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

3-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 5377078) has the molecular formula C7H5IN2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 3-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID5377078
Molecular FormulaC7H5IN2
Molecular Weight244.04 g/mol
Exact Mass243.95
IUPAC Name3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncccc12
InChIInChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKeyBTIANIFSBYIGPA-UHFFFAOYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.17
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 3-iodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-1H-pyrrolo[2,3-b]pyridine (CID 5377078) is 3-iodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-1H-pyrrolo[2,3-b]pyridine is Ic1c[nH]c2ncccc12.
What is the InChIKey of 3-iodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BTIANIFSBYIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10).
What are the key properties of 3-iodo-1H-pyrrolo[2,3-b]pyridine?
3-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 244.04 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 5377078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).