3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde

C15H9BrFN3O — CID 114798117

IUPAC3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ncc(Br)cc1F
InChIInChI=1S/C15H9BrFN3O/c16-11-6-13(17)15(18-7-11)14-10(9-21)8-20(19-14)12-4-2-1-3-5-12/h1-9H
InChIKeyVXLNUWNDILZZPF-UHFFFAOYSA-N
MW346.16 g/mol
LogP3.65
Rot. Bonds3

About 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde

3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde (PubChem CID 114798117) has the molecular formula C15H9BrFN3O and a molecular weight of 346.16 g/mol. Its IUPAC name is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
PubChem CID114798117
Molecular FormulaC15H9BrFN3O
Molecular Weight346.16 g/mol
Exact Mass344.99
IUPAC Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ncc(Br)cc1F
InChIInChI=1S/C15H9BrFN3O/c16-11-6-13(17)15(18-7-11)14-10(9-21)8-20(19-14)12-4-2-1-3-5-12/h1-9H
InChIKeyVXLNUWNDILZZPF-UHFFFAOYSA-N
XLogP3.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 114798072
3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
CID 114798131
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 114798217
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
CID 65347838
3-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 81042312
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde (CID 114798117) is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1-c1ncc(Br)cc1F.
What is the InChIKey of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is VXLNUWNDILZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O/c16-11-6-13(17)15(18-7-11)14-10(9-21)8-20(19-14)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde?
3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 346.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 114798117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).