4-bromo-2-(5-ethylpyrazol-1-yl)pyridine

C10H10BrN3 — CID 84804173

IUPAC4-bromo-2-(5-ethylpyrazol-1-yl)pyridine
SMILESCCc1ccnn1-c1cc(Br)ccn1
InChIInChI=1S/C10H10BrN3/c1-2-9-4-6-13-14(9)10-7-8(11)3-5-12-10/h3-7H,2H2,1H3
InChIKeyMMJYNJPFEUFJRE-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.59
Rot. Bonds2

About 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine

4-bromo-2-(5-ethylpyrazol-1-yl)pyridine (PubChem CID 84804173) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(5-ethylpyrazol-1-yl)pyridine
PubChem CID84804173
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name4-bromo-2-(5-ethylpyrazol-1-yl)pyridine
SMILESCCc1ccnn1-c1cc(Br)ccn1
InChIInChI=1S/C10H10BrN3/c1-2-9-4-6-13-14(9)10-7-8(11)3-5-12-10/h3-7H,2H2,1H3
InChIKeyMMJYNJPFEUFJRE-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine?
The IUPAC name of 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine (CID 84804173) is 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine?
The canonical SMILES for 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine is CCc1ccnn1-c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine?
The InChIKey is MMJYNJPFEUFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-2-9-4-6-13-14(9)10-7-8(11)3-5-12-10/h3-7H,2H2,1H3.
What are the key properties of 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine?
4-bromo-2-(5-ethylpyrazol-1-yl)pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-ethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 84804173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).