2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

C9H3Cl3F3N3O — CID 154644464

IUPAC2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)COc1c(Cl)ncc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C9H3Cl3F3N3O/c10-6-3-1-16-7(11)5(19-2-9(13,14)15)4(3)17-8(12)18-6/h1H,2H2
InChIKeyCBVUYSWAIWMIBI-UHFFFAOYSA-N
MW332.50 g/mol
LogP3.93
Rot. Bonds2

About 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 154644464) has the molecular formula C9H3Cl3F3N3O and a molecular weight of 332.50 g/mol. Its IUPAC name is 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
PubChem CID154644464
Molecular FormulaC9H3Cl3F3N3O
Molecular Weight332.50 g/mol
Exact Mass330.93
IUPAC Name2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESFC(F)(F)COc1c(Cl)ncc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C9H3Cl3F3N3O/c10-6-3-1-16-7(11)5(19-2-9(13,14)15)4(3)17-8(12)18-6/h1H,2H2
InChIKeyCBVUYSWAIWMIBI-UHFFFAOYSA-N
XLogP3.93
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (CID 154644464) is 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is FC(F)(F)COc1c(Cl)ncc2c(Cl)nc(Cl)nc12.
What is the InChIKey of 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The InChIKey is CBVUYSWAIWMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3F3N3O/c10-6-3-1-16-7(11)5(19-2-9(13,14)15)4(3)17-8(12)18-6/h1H,2H2.
What are the key properties of 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 332.50 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).