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

C9H8BrN3O — CID 130511258

IUPAC5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
SMILESCOc1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C9H8BrN3O/c1-14-8-5-12-13(6-8)9-3-2-7(10)4-11-9/h2-6H,1H3
InChIKeyAQPRRIOINAALDW-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.04
Rot. Bonds2

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

5-bromo-2-(4-methoxypyrazol-1-yl)pyridine (PubChem CID 130511258) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
PubChem CID130511258
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
SMILESCOc1cnn(-c2ccc(Br)cn2)c1
InChIInChI=1S/C9H8BrN3O/c1-14-8-5-12-13(6-8)9-3-2-7(10)4-11-9/h2-6H,1H3
InChIKeyAQPRRIOINAALDW-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine (CID 130511258) is 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine is COc1cnn(-c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine?
The InChIKey is AQPRRIOINAALDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-14-8-5-12-13(6-8)9-3-2-7(10)4-11-9/h2-6H,1H3.
What are the key properties of 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine?
5-bromo-2-(4-methoxypyrazol-1-yl)pyridine has a molecular weight of 254.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methoxypyrazol-1-yl)pyridine is sourced from PubChem (CID 130511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).