4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

C9H6F3N3O — CID 156645676

IUPAC4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)COc1ncnc2ccncc12
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)4-16-8-6-3-13-2-1-7(6)14-5-15-8/h1-3,5H,4H2
InChIKeyZROARYDYYVDCIA-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.97
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 156645676) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
PubChem CID156645676
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)COc1ncnc2ccncc12
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)4-16-8-6-3-13-2-1-7(6)14-5-15-8/h1-3,5H,4H2
InChIKeyZROARYDYYVDCIA-UHFFFAOYSA-N
XLogP1.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (CID 156645676) is 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is FC(F)(F)COc1ncnc2ccncc12.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The InChIKey is ZROARYDYYVDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)4-16-8-6-3-13-2-1-7(6)14-5-15-8/h1-3,5H,4H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 229.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 156645676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).