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

C8H6BrIN2 — CID 70115518

IUPAC5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2ncc(Br)cc2c1I
InChIInChI=1S/C8H6BrIN2/c1-4-7(10)6-2-5(9)3-11-8(6)12-4/h2-3H,1H3,(H,11,12)
InChIKeyCKGZOPNQTXOXRS-UHFFFAOYSA-N
MW336.96 g/mol
LogP3.24
Rot. Bonds

About 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70115518) has the molecular formula C8H6BrIN2 and a molecular weight of 336.96 g/mol. Its IUPAC name is 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID70115518
Molecular FormulaC8H6BrIN2
Molecular Weight336.96 g/mol
Exact Mass335.88
IUPAC Name5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1[nH]c2ncc(Br)cc2c1I
InChIInChI=1S/C8H6BrIN2/c1-4-7(10)6-2-5(9)3-11-8(6)12-4/h2-3H,1H3,(H,11,12)
InChIKeyCKGZOPNQTXOXRS-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.96
LogP ≤ 53.24
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

5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 123822296
5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 22477574
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072
5-bromo-2-iodo-3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 155703362
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
3,5-dibromo-6-methoxy-7-methyl-7,9-dihydro-6H-pyrido[2,3-b]indole
CID 143620482
ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 166831298
5-bromo-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 126970379
5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 10429778
ethyl 5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759073
methyl 3-bromo-9H-pyrido[2,3-b]indole-6-carboxylate
CID 57458947
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 70115518) is 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1[nH]c2ncc(Br)cc2c1I.
What is the InChIKey of 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CKGZOPNQTXOXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN2/c1-4-7(10)6-2-5(9)3-11-8(6)12-4/h2-3H,1H3,(H,11,12).
What are the key properties of 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 336.96 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70115518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).