9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde

C13H5F3N2O2 — CID 169095277

IUPAC9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C13H5F3N2O2/c14-13(15,16)12-17-4-9-7-2-1-6(5-19)3-8(7)11(20)10(9)18-12/h1-5H
InChIKeyONWYAJREYYDQIZ-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.52
Rot. Bonds1

About 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde

9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde (PubChem CID 169095277) has the molecular formula C13H5F3N2O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde
PubChem CID169095277
Molecular FormulaC13H5F3N2O2
Molecular Weight278.19 g/mol
Exact Mass278.03
IUPAC Name9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C13H5F3N2O2/c14-13(15,16)12-17-4-9-7-2-1-6(5-19)3-8(7)11(20)10(9)18-12/h1-5H
InChIKeyONWYAJREYYDQIZ-UHFFFAOYSA-N
XLogP2.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.52
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 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde?
The IUPAC name of 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde (CID 169095277) is 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde?
The canonical SMILES for 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde is O=Cc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2.
What is the InChIKey of 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde?
The InChIKey is ONWYAJREYYDQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F3N2O2/c14-13(15,16)12-17-4-9-7-2-1-6(5-19)3-8(7)11(20)10(9)18-12/h1-5H.
What are the key properties of 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde?
9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde has a molecular weight of 278.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2-(trifluoromethyl)indeno[2,1-d]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 169095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).