5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine

C10H10BrN3O — CID 116793296

IUPAC5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
SMILESCc1cc(Br)cnc1Oc1cnn(C)c1
InChIInChI=1S/C10H10BrN3O/c1-7-3-8(11)4-12-10(7)15-9-5-13-14(2)6-9/h3-6H,1-2H3
InChIKeyILZTWVTVSLSLPR-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.68
Rot. Bonds2

About 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine

5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine (PubChem CID 116793296) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
PubChem CID116793296
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
SMILESCc1cc(Br)cnc1Oc1cnn(C)c1
InChIInChI=1S/C10H10BrN3O/c1-7-3-8(11)4-12-10(7)15-9-5-13-14(2)6-9/h3-6H,1-2H3
InChIKeyILZTWVTVSLSLPR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine?
The IUPAC name of 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine (CID 116793296) is 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine is Cc1cc(Br)cnc1Oc1cnn(C)c1.
What is the InChIKey of 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine?
The InChIKey is ILZTWVTVSLSLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-7-3-8(11)4-12-10(7)15-9-5-13-14(2)6-9/h3-6H,1-2H3.
What are the key properties of 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine?
5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine has a molecular weight of 268.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 116793296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).