5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine

C10H9Br2N3 — CID 164645104

IUPAC5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
SMILESBrc1ccc(CCn2cc(Br)cn2)nc1
InChIInChI=1S/C10H9Br2N3/c11-8-1-2-10(13-5-8)3-4-15-7-9(12)6-14-15/h1-2,5-7H,3-4H2
InChIKeyJKZBUFPZMPJWKW-UHFFFAOYSA-N
MW331.01 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine

5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine (PubChem CID 164645104) has the molecular formula C10H9Br2N3 and a molecular weight of 331.01 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
PubChem CID164645104
Molecular FormulaC10H9Br2N3
Molecular Weight331.01 g/mol
Exact Mass328.92
IUPAC Name5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
SMILESBrc1ccc(CCn2cc(Br)cn2)nc1
InChIInChI=1S/C10H9Br2N3/c11-8-1-2-10(13-5-8)3-4-15-7-9(12)6-14-15/h1-2,5-7H,3-4H2
InChIKeyJKZBUFPZMPJWKW-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine?
The IUPAC name of 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine (CID 164645104) is 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine is Brc1ccc(CCn2cc(Br)cn2)nc1.
What is the InChIKey of 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine?
The InChIKey is JKZBUFPZMPJWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3/c11-8-1-2-10(13-5-8)3-4-15-7-9(12)6-14-15/h1-2,5-7H,3-4H2.
What are the key properties of 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine?
5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine has a molecular weight of 331.01 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 164645104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).