4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine

C7H4BrIN2 — CID 53412822

IUPAC4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine
SMILESBrc1cncc2[nH]cc(I)c12
InChIInChI=1S/C7H4BrIN2/c8-4-1-10-3-6-7(4)5(9)2-11-6/h1-3,11H
InChIKeyWMRQXWSOBUQULT-UHFFFAOYSA-N
MW322.93 g/mol
LogP2.93
Rot. Bonds

About 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine

4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine (PubChem CID 53412822) has the molecular formula C7H4BrIN2 and a molecular weight of 322.93 g/mol. Its IUPAC name is 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine
PubChem CID53412822
Molecular FormulaC7H4BrIN2
Molecular Weight322.93 g/mol
Exact Mass321.86
IUPAC Name4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine
SMILESBrc1cncc2[nH]cc(I)c12
InChIInChI=1S/C7H4BrIN2/c8-4-1-10-3-6-7(4)5(9)2-11-6/h1-3,11H
InChIKeyWMRQXWSOBUQULT-UHFFFAOYSA-N
XLogP2.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.93
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Azaindole
CID 9219
(1H-pyrrolo[2,3-c]pyridin-2-yl)methanamine
CID 46856465
4-Bromo-7-chloro-1H-pyrrolo(2,3-c)pyridine
CID 11031723
3-Bromo-1H-pyrrolo[2,3-c]pyridine
CID 12410856
4-Bromo-1H-pyrrolo(2,3-c)pyridine
CID 12510055
3-Bromo-5-azaindole
CID 15692030
6-Bromo-1H-pyrrolo[3,2-b]pyridine
CID 24229256
5-Bromo-1H-pyrrolo[3,2-b]pyridine
CID 24729356
3-Bromo-4-azaindole
CID 44119213
7-Bromo-1H-pyrrolo(3,2-c)pyridine
CID 44721299
7-Bromo-4-chloro-1H-pyrrolo[2,3-c]pyridine
CID 59693790
4-bromo-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 67382285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine (CID 53412822) is 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine is Brc1cncc2[nH]cc(I)c12.
What is the InChIKey of 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is WMRQXWSOBUQULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrIN2/c8-4-1-10-3-6-7(4)5(9)2-11-6/h1-3,11H.
What are the key properties of 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine?
4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 322.93 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 53412822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).