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

C8H7IN2 — CID 130121035

IUPAC4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(I)ccnc2[nH]1
InChIInChI=1S/C8H7IN2/c1-5-4-6-7(9)2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)
InChIKeyXCDMOTUEROOHIY-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.48
Rot. Bonds

About 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine

4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 130121035) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID130121035
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2c(I)ccnc2[nH]1
InChIInChI=1S/C8H7IN2/c1-5-4-6-7(9)2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)
InChIKeyXCDMOTUEROOHIY-UHFFFAOYSA-N
XLogP2.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.48
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 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 130121035) is 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1cc2c(I)ccnc2[nH]1.
What is the InChIKey of 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XCDMOTUEROOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2/c1-5-4-6-7(9)2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11).
What are the key properties of 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 258.06 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130121035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).