6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C10H11BrN2 — CID 123742080

IUPAC6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2/c1-6(2)8-4-9-10(13-8)3-7(11)5-12-9/h3-6,13H,1-2H3
InChIKeyWUORSLYEYLHAEX-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.45
Rot. Bonds1

About 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 123742080) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID123742080
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2/c1-6(2)8-4-9-10(13-8)3-7(11)5-12-9/h3-6,13H,1-2H3
InChIKeyWUORSLYEYLHAEX-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine
CID 84773848
1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-methylpropan-2-amine
CID 84808262
1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-(methylamino)ethanone
CID 84808188
7-bromo-3-ethanehydrazonoyl-1H-1,5-naphthyridin-2-one
CID 167179109
[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine
CID 84807832
6-bromo-3-(1-cyclopropylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306312
5-iodo-11-propan-2-yl-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
CID 70832206
3-bromo-7-propan-2-ylquinolin-6-ol
CID 135041979
ethane;5-propan-2-yl-1H-imidazol-2-amine
CID 163265952
6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105443050
1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-2-yl)ethanamine
CID 84804647
4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one
CID 177147413

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 123742080) is 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is CC(C)c1cc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is WUORSLYEYLHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-6(2)8-4-9-10(13-8)3-7(11)5-12-9/h3-6,13H,1-2H3.
What are the key properties of 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 239.12 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 123742080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).