5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine

C11H12BrIN2 — CID 155703362

IUPAC5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Cc1c(I)[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H12BrIN2/c1-6(2)3-8-9-4-7(12)5-14-11(9)15-10(8)13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyNHKXAGCNHSOOEC-UHFFFAOYSA-N
MW379.04 g/mol
LogP4.13
Rot. Bonds2

About 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 155703362) has the molecular formula C11H12BrIN2 and a molecular weight of 379.04 g/mol. Its IUPAC name is 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID155703362
Molecular FormulaC11H12BrIN2
Molecular Weight379.04 g/mol
Exact Mass377.92
IUPAC Name5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Cc1c(I)[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H12BrIN2/c1-6(2)3-8-9-4-7(12)5-14-11(9)15-10(8)13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyNHKXAGCNHSOOEC-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.04
LogP ≤ 54.13
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 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine (CID 155703362) is 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine is CC(C)Cc1c(I)[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NHKXAGCNHSOOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrIN2/c1-6(2)3-8-9-4-7(12)5-14-11(9)15-10(8)13/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 379.04 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155703362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).