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

C10H10BrN3O — CID 130511266

IUPAC3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine
SMILESCOc1cnn(-c2ccc(Br)c(C)n2)c1
InChIInChI=1S/C10H10BrN3O/c1-7-9(11)3-4-10(13-7)14-6-8(15-2)5-12-14/h3-6H,1-2H3
InChIKeyQLOQFXFXEBDNFC-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.35
Rot. Bonds2

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

3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine (PubChem CID 130511266) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine
PubChem CID130511266
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine
SMILESCOc1cnn(-c2ccc(Br)c(C)n2)c1
InChIInChI=1S/C10H10BrN3O/c1-7-9(11)3-4-10(13-7)14-6-8(15-2)5-12-14/h3-6H,1-2H3
InChIKeyQLOQFXFXEBDNFC-UHFFFAOYSA-N
XLogP2.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine?
The IUPAC name of 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine (CID 130511266) is 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine.
What is the SMILES notation for 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine?
The canonical SMILES for 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine is COc1cnn(-c2ccc(Br)c(C)n2)c1.
What is the InChIKey of 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine?
The InChIKey is QLOQFXFXEBDNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-7-9(11)3-4-10(13-7)14-6-8(15-2)5-12-14/h3-6H,1-2H3.
What are the key properties of 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine?
3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine has a molecular weight of 268.11 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine is sourced from PubChem (CID 130511266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).