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

C10H11BrN2 — CID 123822296

IUPAC5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c(C)[nH]c2ncc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-3-8-6(2)13-10-9(8)4-7(11)5-12-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyQMOQTKAXVAWIAV-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.20
Rot. Bonds1

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

5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123822296) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID123822296
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c(C)[nH]c2ncc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-3-8-6(2)13-10-9(8)4-7(11)5-12-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyQMOQTKAXVAWIAV-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
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-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 22477574
ethyl 6-bromo-4-methyl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 166831298
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
ethyl 5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759073
methyl 5-bromo-2-(2-methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759074
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
8-ethyl-3-methyl-9H-pyrido[2,3-b]indole
CID 143620519
5-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 177188064
(3-amino-2-ethyl-6-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 162741571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 123822296) is 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine is CCc1c(C)[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QMOQTKAXVAWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-3-8-6(2)13-10-9(8)4-7(11)5-12-10/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 239.12 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123822296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).