2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine

C11H12BrN3 — CID 150705653

IUPAC2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine
SMILESCCn1cc(Br)c(-c2cccc(C)n2)n1
InChIInChI=1S/C11H12BrN3/c1-3-15-7-9(12)11(14-15)10-6-4-5-8(2)13-10/h4-7H,3H2,1-2H3
InChIKeyJMUPNNVBMJIBOY-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine

2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine (PubChem CID 150705653) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine
PubChem CID150705653
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine
SMILESCCn1cc(Br)c(-c2cccc(C)n2)n1
InChIInChI=1S/C11H12BrN3/c1-3-15-7-9(12)11(14-15)10-6-4-5-8(2)13-10/h4-7H,3H2,1-2H3
InChIKeyJMUPNNVBMJIBOY-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine?
The IUPAC name of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine (CID 150705653) is 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine.
What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine?
The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine is CCn1cc(Br)c(-c2cccc(C)n2)n1.
What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine?
The InChIKey is JMUPNNVBMJIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-3-15-7-9(12)11(14-15)10-6-4-5-8(2)13-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine?
2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine has a molecular weight of 266.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine is sourced from PubChem (CID 150705653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).