5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde

C11H9BrN2O — CID 84711366

IUPAC5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
SMILESCc1cnn(-c2ccc(Br)cc2C=O)c1
InChIInChI=1S/C11H9BrN2O/c1-8-5-13-14(6-8)11-3-2-10(12)4-9(11)7-15/h2-7H,1H3
InChIKeyBREZKMMTKKUMPE-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.76
Rot. Bonds2

About 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde

5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde (PubChem CID 84711366) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
PubChem CID84711366
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
SMILESCc1cnn(-c2ccc(Br)cc2C=O)c1
InChIInChI=1S/C11H9BrN2O/c1-8-5-13-14(6-8)11-3-2-10(12)4-9(11)7-15/h2-7H,1H3
InChIKeyBREZKMMTKKUMPE-UHFFFAOYSA-N
XLogP2.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde (CID 84711366) is 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde is Cc1cnn(-c2ccc(Br)cc2C=O)c1.
What is the InChIKey of 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde?
The InChIKey is BREZKMMTKKUMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-8-5-13-14(6-8)11-3-2-10(12)4-9(11)7-15/h2-7H,1H3.
What are the key properties of 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde?
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde has a molecular weight of 265.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 84711366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).