3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine

C13H10BrN3S — CID 104809193

IUPAC3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
SMILESBrc1cncc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C13H10BrN3S/c14-11-6-10(7-15-8-11)9-17-4-3-16-13(17)12-2-1-5-18-12/h1-8H,9H2
InChIKeyBWJKCTHATVSUTB-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.82
Rot. Bonds3

About 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine

3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine (PubChem CID 104809193) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
PubChem CID104809193
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
SMILESBrc1cncc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C13H10BrN3S/c14-11-6-10(7-15-8-11)9-17-4-3-16-13(17)12-2-1-5-18-12/h1-8H,9H2
InChIKeyBWJKCTHATVSUTB-UHFFFAOYSA-N
XLogP3.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine (CID 104809193) is 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine is Brc1cncc(Cn2ccnc2-c2cccs2)c1.
What is the InChIKey of 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine?
The InChIKey is BWJKCTHATVSUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c14-11-6-10(7-15-8-11)9-17-4-3-16-13(17)12-2-1-5-18-12/h1-8H,9H2.
What are the key properties of 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine?
3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine has a molecular weight of 320.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 104809193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).