2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde

C10H4F3N3O2 — CID 174808499

IUPAC2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde
SMILESO=CC(=O)c1cnc2c(C(F)(F)F)ccnc2n1
InChIInChI=1S/C10H4F3N3O2/c11-10(12,13)5-1-2-14-9-8(5)15-3-6(16-9)7(18)4-17/h1-4H
InChIKeyWQGIIECVFWSUMI-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.43
Rot. Bonds2

About 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde

2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde (PubChem CID 174808499) has the molecular formula C10H4F3N3O2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde
PubChem CID174808499
Molecular FormulaC10H4F3N3O2
Molecular Weight255.16 g/mol
Exact Mass255.03
IUPAC Name2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde
SMILESO=CC(=O)c1cnc2c(C(F)(F)F)ccnc2n1
InChIInChI=1S/C10H4F3N3O2/c11-10(12,13)5-1-2-14-9-8(5)15-3-6(16-9)7(18)4-17/h1-4H
InChIKeyWQGIIECVFWSUMI-UHFFFAOYSA-N
XLogP1.43
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde?
The IUPAC name of 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde (CID 174808499) is 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde.
What is the SMILES notation for 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde?
The canonical SMILES for 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde is O=CC(=O)c1cnc2c(C(F)(F)F)ccnc2n1.
What is the InChIKey of 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde?
The InChIKey is WQGIIECVFWSUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N3O2/c11-10(12,13)5-1-2-14-9-8(5)15-3-6(16-9)7(18)4-17/h1-4H.
What are the key properties of 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde?
2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde has a molecular weight of 255.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde is sourced from PubChem (CID 174808499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).