2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde

C10H6BrFN2O — CID 164903139

IUPAC2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1-c1cccc(Br)c1F
InChIInChI=1S/C10H6BrFN2O/c11-8-2-1-3-9(10(8)12)14-7(6-15)4-5-13-14/h1-6H
InChIKeyKMNMFNAVBOKLRP-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.59
Rot. Bonds2

About 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde

2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde (PubChem CID 164903139) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde
PubChem CID164903139
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1-c1cccc(Br)c1F
InChIInChI=1S/C10H6BrFN2O/c11-8-2-1-3-9(10(8)12)14-7(6-15)4-5-13-14/h1-6H
InChIKeyKMNMFNAVBOKLRP-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.59
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 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde (CID 164903139) is 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde is O=Cc1ccnn1-c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde?
The InChIKey is KMNMFNAVBOKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-8-2-1-3-9(10(8)12)14-7(6-15)4-5-13-14/h1-6H.
What are the key properties of 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde?
2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde has a molecular weight of 269.07 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 164903139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).