3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine

C12H13BrN4 — CID 114223410

IUPAC3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
SMILESBrc1cncc(-n2cncc2C2CCNC2)c1
InChIInChI=1S/C12H13BrN4/c13-10-3-11(6-15-5-10)17-8-16-7-12(17)9-1-2-14-4-9/h3,5-9,14H,1-2,4H2
InChIKeyQZLOLMSGVNWKFH-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.11
Rot. Bonds2

About 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine

3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine (PubChem CID 114223410) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
PubChem CID114223410
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
SMILESBrc1cncc(-n2cncc2C2CCNC2)c1
InChIInChI=1S/C12H13BrN4/c13-10-3-11(6-15-5-10)17-8-16-7-12(17)9-1-2-14-4-9/h3,5-9,14H,1-2,4H2
InChIKeyQZLOLMSGVNWKFH-UHFFFAOYSA-N
XLogP2.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
4-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]piperidine
CID 114703013
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine (CID 114223410) is 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine is Brc1cncc(-n2cncc2C2CCNC2)c1.
What is the InChIKey of 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine?
The InChIKey is QZLOLMSGVNWKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-10-3-11(6-15-5-10)17-8-16-7-12(17)9-1-2-14-4-9/h3,5-9,14H,1-2,4H2.
What are the key properties of 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine?
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine has a molecular weight of 293.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine is sourced from PubChem (CID 114223410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).