2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine

C10H10BrN3 — CID 67246096

IUPAC2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine
SMILESCc1cccc(-n2ncc(C)c2Br)n1
InChIInChI=1S/C10H10BrN3/c1-7-6-12-14(10(7)11)9-5-3-4-8(2)13-9/h3-6H,1-2H3
InChIKeyYTOQCGCONBFPFN-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.65
Rot. Bonds1

About 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine

2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine (PubChem CID 67246096) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine
PubChem CID67246096
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine
SMILESCc1cccc(-n2ncc(C)c2Br)n1
InChIInChI=1S/C10H10BrN3/c1-7-6-12-14(10(7)11)9-5-3-4-8(2)13-9/h3-6H,1-2H3
InChIKeyYTOQCGCONBFPFN-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine?
The IUPAC name of 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine (CID 67246096) is 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine.
What is the SMILES notation for 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine?
The canonical SMILES for 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine is Cc1cccc(-n2ncc(C)c2Br)n1.
What is the InChIKey of 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine?
The InChIKey is YTOQCGCONBFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-6-12-14(10(7)11)9-5-3-4-8(2)13-9/h3-6H,1-2H3.
What are the key properties of 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine?
2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine has a molecular weight of 252.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine is sourced from PubChem (CID 67246096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).