5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine

C10H10BrIN2 — CID 155288997

IUPAC5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC(C)n1cc(I)c2cc(Br)cnc21
InChIInChI=1S/C10H10BrIN2/c1-6(2)14-5-9(12)8-3-7(11)4-13-10(8)14/h3-6H,1-2H3
InChIKeyYHVVSVHKBRGVSN-UHFFFAOYSA-N
MW365.01 g/mol
LogP3.98
Rot. Bonds1

About 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine

5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 155288997) has the molecular formula C10H10BrIN2 and a molecular weight of 365.01 g/mol. Its IUPAC name is 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID155288997
Molecular FormulaC10H10BrIN2
Molecular Weight365.01 g/mol
Exact Mass363.91
IUPAC Name5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC(C)n1cc(I)c2cc(Br)cnc21
InChIInChI=1S/C10H10BrIN2/c1-6(2)14-5-9(12)8-3-7(11)4-13-10(8)14/h3-6H,1-2H3
InChIKeyYHVVSVHKBRGVSN-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.01
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine
CID 146560101
1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
CID 117223825
3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347962
4-chloro-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 19597426
(5-bromo-3-methylpyrazolo[5,4-b]pyridin-1-yl)-iodophosphane;ethane
CID 166137712
3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 139383710
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylic acid;ethane
CID 153403561
5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 155703362
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 155288997) is 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine is CC(C)n1cc(I)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is YHVVSVHKBRGVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIN2/c1-6(2)14-5-9(12)8-3-7(11)4-13-10(8)14/h3-6H,1-2H3.
What are the key properties of 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine?
5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 365.01 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155288997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).