6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride

C11H14BrClN4 — CID 67413875

IUPAC6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESC[C@@H]1CNC(c2nc3ncc(Br)cc3[nH]2)C1.Cl
InChIInChI=1S/C11H13BrN4.ClH/c1-6-2-8(13-4-6)11-15-9-3-7(12)5-14-10(9)16-11;/h3,5-6,8,13H,2,4H2,1H3,(H,14,15,16);1H/t6-,8?;/m0./s1
InChIKeyGRUGFZMIHBJOKM-IHEARLNSSA-N
MW317.62 g/mol
LogP2.81
Rot. Bonds1

About 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride

6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 67413875) has the molecular formula C11H14BrClN4 and a molecular weight of 317.62 g/mol. Its IUPAC name is 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID67413875
Molecular FormulaC11H14BrClN4
Molecular Weight317.62 g/mol
Exact Mass316.01
IUPAC Name6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESC[C@@H]1CNC(c2nc3ncc(Br)cc3[nH]2)C1.Cl
InChIInChI=1S/C11H13BrN4.ClH/c1-6-2-8(13-4-6)11-15-9-3-7(12)5-14-10(9)16-11;/h3,5-6,8,13H,2,4H2,1H3,(H,14,15,16);1H/t6-,8?;/m0./s1
InChIKeyGRUGFZMIHBJOKM-IHEARLNSSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.62
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 67413875) is 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride is C[C@@H]1CNC(c2nc3ncc(Br)cc3[nH]2)C1.Cl.
What is the InChIKey of 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is GRUGFZMIHBJOKM-IHEARLNSSA-N. The full InChI is InChI=1S/C11H13BrN4.ClH/c1-6-2-8(13-4-6)11-15-9-3-7(12)5-14-10(9)16-11;/h3,5-6,8,13H,2,4H2,1H3,(H,14,15,16);1H/t6-,8?;/m0./s1.
What are the key properties of 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 317.62 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4S)-4-methylpyrrolidin-2-yl]-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 67413875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).