6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine

C13H12BrN5 — CID 121269524

IUPAC6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1ccc(-c2nc3nccc(Br)c3[nH]2)nc1
InChIInChI=1S/C13H12BrN5/c1-19(2)8-3-4-10(16-7-8)12-17-11-9(14)5-6-15-13(11)18-12/h3-7H,1-2H3,(H,15,17,18)
InChIKeyHOUGFMHMLIGSKG-UHFFFAOYSA-N
MW318.18 g/mol
LogP2.85
Rot. Bonds2

About 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine

6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine (PubChem CID 121269524) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine
PubChem CID121269524
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1ccc(-c2nc3nccc(Br)c3[nH]2)nc1
InChIInChI=1S/C13H12BrN5/c1-19(2)8-3-4-10(16-7-8)12-17-11-9(14)5-6-15-13(11)18-12/h3-7H,1-2H3,(H,15,17,18)
InChIKeyHOUGFMHMLIGSKG-UHFFFAOYSA-N
XLogP2.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine?
The IUPAC name of 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine (CID 121269524) is 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine is CN(C)c1ccc(-c2nc3nccc(Br)c3[nH]2)nc1.
What is the InChIKey of 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine?
The InChIKey is HOUGFMHMLIGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-19(2)8-3-4-10(16-7-8)12-17-11-9(14)5-6-15-13(11)18-12/h3-7H,1-2H3,(H,15,17,18).
What are the key properties of 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine?
6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine has a molecular weight of 318.18 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 121269524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).