3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine

C10H9BrN2 — CID 163984508

IUPAC3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC=C(C)c1cnc2[nH]cc(Br)c2c1
InChIInChI=1S/C10H9BrN2/c1-6(2)7-3-8-9(11)5-13-10(8)12-4-7/h3-5H,1H2,2H3,(H,12,13)
InChIKeyTVBYOFYLEASSBH-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.36
Rot. Bonds1

About 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine

3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 163984508) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID163984508
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC=C(C)c1cnc2[nH]cc(Br)c2c1
InChIInChI=1S/C10H9BrN2/c1-6(2)7-3-8-9(11)5-13-10(8)12-4-7/h3-5H,1H2,2H3,(H,12,13)
InChIKeyTVBYOFYLEASSBH-UHFFFAOYSA-N
XLogP3.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-methoxy-7H-pyrrolo[2,3-c]pyridazine
CID 131544412
3-butyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 165464603
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485
N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 166350507
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
1-(3-bromo-1H-indol-6-yl)ethanone
CID 83897897
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
[3-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl] 2,2,2-trifluoroacetate
CID 68936884
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine
CID 139296336
(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxyboronic acid
CID 174160474

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 163984508) is 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine is C=C(C)c1cnc2[nH]cc(Br)c2c1.
What is the InChIKey of 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TVBYOFYLEASSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-6(2)7-3-8-9(11)5-13-10(8)12-4-7/h3-5H,1H2,2H3,(H,12,13).
What are the key properties of 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine?
3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 237.10 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-prop-1-en-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 163984508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).