5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde

C11H5ClF3N3O — CID 118008059

IUPAC5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1
InChIInChI=1S/C11H5ClF3N3O/c12-9-4-16-7(5-19)1-8(9)6-2-17-10(18-3-6)11(13,14)15/h1-5H
InChIKeyOKJVDVSGNKVPTE-UHFFFAOYSA-N
MW287.63 g/mol
LogP3.02
Rot. Bonds2

About 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde

5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde (PubChem CID 118008059) has the molecular formula C11H5ClF3N3O and a molecular weight of 287.63 g/mol. Its IUPAC name is 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde
PubChem CID118008059
Molecular FormulaC11H5ClF3N3O
Molecular Weight287.63 g/mol
Exact Mass287.01
IUPAC Name5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1
InChIInChI=1S/C11H5ClF3N3O/c12-9-4-16-7(5-19)1-8(9)6-2-17-10(18-3-6)11(13,14)15/h1-5H
InChIKeyOKJVDVSGNKVPTE-UHFFFAOYSA-N
XLogP3.02
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 53.02
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-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde (CID 118008059) is 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde is O=Cc1cc(-c2cnc(C(F)(F)F)nc2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde?
The InChIKey is OKJVDVSGNKVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3O/c12-9-4-16-7(5-19)1-8(9)6-2-17-10(18-3-6)11(13,14)15/h1-5H.
What are the key properties of 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde?
5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde has a molecular weight of 287.63 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 118008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).