5-iodo-1-methylpyrrolo[2,3-b]pyridine

C8H7IN2 — CID 140675954

IUPAC5-iodo-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2cc(I)cnc21
InChIInChI=1S/C8H7IN2/c1-11-3-2-6-4-7(9)5-10-8(6)11/h2-5H,1H3
InChIKeySPQLTUZMRYYPPV-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.18
Rot. Bonds

About 5-iodo-1-methylpyrrolo[2,3-b]pyridine

5-iodo-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 140675954) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-iodo-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-iodo-1-methylpyrrolo[2,3-b]pyridine
PubChem CID140675954
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name5-iodo-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2cc(I)cnc21
InChIInChI=1S/C8H7IN2/c1-11-3-2-6-4-7(9)5-10-8(6)11/h2-5H,1H3
InChIKeySPQLTUZMRYYPPV-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-iodo-1-methylpyrrolo[2,3-b]pyridine (CID 140675954) is 5-iodo-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-iodo-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-iodo-1-methylpyrrolo[2,3-b]pyridine is Cn1ccc2cc(I)cnc21.
What is the InChIKey of 5-iodo-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is SPQLTUZMRYYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2/c1-11-3-2-6-4-7(9)5-10-8(6)11/h2-5H,1H3.
What are the key properties of 5-iodo-1-methylpyrrolo[2,3-b]pyridine?
5-iodo-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 258.06 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 140675954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).