5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

C10H5ClF3N3O — CID 43328189

IUPAC5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn(-c2ccccn2)c1Cl
InChIInChI=1S/C10H5ClF3N3O/c11-9-6(5-18)8(10(12,13)14)16-17(9)7-3-1-2-4-15-7/h1-5H
InChIKeyURZCGXSEZJCXSB-UHFFFAOYSA-N
MW275.62 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 43328189) has the molecular formula C10H5ClF3N3O and a molecular weight of 275.62 g/mol. Its IUPAC name is 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
PubChem CID43328189
Molecular FormulaC10H5ClF3N3O
Molecular Weight275.62 g/mol
Exact Mass275.01
IUPAC Name5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn(-c2ccccn2)c1Cl
InChIInChI=1S/C10H5ClF3N3O/c11-9-6(5-18)8(10(12,13)14)16-17(9)7-3-1-2-4-15-7/h1-5H
InChIKeyURZCGXSEZJCXSB-UHFFFAOYSA-N
XLogP2.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 52.75
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 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde (CID 43328189) is 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde is O=Cc1c(C(F)(F)F)nn(-c2ccccn2)c1Cl.
What is the InChIKey of 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is URZCGXSEZJCXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O/c11-9-6(5-18)8(10(12,13)14)16-17(9)7-3-1-2-4-15-7/h1-5H.
What are the key properties of 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 275.62 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43328189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).