1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde

C10H4BrClF3N3O — CID 65348183

IUPAC1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C10H4BrClF3N3O/c11-5-1-2-7(16-3-5)18-9(12)6(4-19)8(17-18)10(13,14)15/h1-4H
InChIKeySAHQRZHMRKFIDG-UHFFFAOYSA-N
MW354.51 g/mol
LogP3.51
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde

1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 65348183) has the molecular formula C10H4BrClF3N3O and a molecular weight of 354.51 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde
PubChem CID65348183
Molecular FormulaC10H4BrClF3N3O
Molecular Weight354.51 g/mol
Exact Mass352.92
IUPAC Name1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C10H4BrClF3N3O/c11-5-1-2-7(16-3-5)18-9(12)6(4-19)8(17-18)10(13,14)15/h1-4H
InChIKeySAHQRZHMRKFIDG-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde (CID 65348183) is 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde is O=Cc1c(C(F)(F)F)nn(-c2ccc(Br)cn2)c1Cl.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is SAHQRZHMRKFIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF3N3O/c11-5-1-2-7(16-3-5)18-9(12)6(4-19)8(17-18)10(13,14)15/h1-4H.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 354.51 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 65348183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).