2,4,6-trichloropyrido[3,2-d]pyrimidine

C7H2Cl3N3 — CID 53488052

IUPAC2,4,6-trichloropyrido[3,2-d]pyrimidine
SMILESClc1ccc2nc(Cl)nc(Cl)c2n1
InChIInChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H
InChIKeyKPUMPJIRBVOFGW-UHFFFAOYSA-N
MW234.47 g/mol
LogP2.98
Rot. Bonds

About 2,4,6-trichloropyrido[3,2-d]pyrimidine

2,4,6-trichloropyrido[3,2-d]pyrimidine (PubChem CID 53488052) has the molecular formula C7H2Cl3N3 and a molecular weight of 234.47 g/mol. Its IUPAC name is 2,4,6-trichloropyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4,6-trichloropyrido[3,2-d]pyrimidine
PubChem CID53488052
Molecular FormulaC7H2Cl3N3
Molecular Weight234.47 g/mol
Exact Mass232.93
IUPAC Name2,4,6-trichloropyrido[3,2-d]pyrimidine
SMILESClc1ccc2nc(Cl)nc(Cl)c2n1
InChIInChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H
InChIKeyKPUMPJIRBVOFGW-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloropyrido[3,2-d]pyrimidine?
The IUPAC name of 2,4,6-trichloropyrido[3,2-d]pyrimidine (CID 53488052) is 2,4,6-trichloropyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2,4,6-trichloropyrido[3,2-d]pyrimidine?
The canonical SMILES for 2,4,6-trichloropyrido[3,2-d]pyrimidine is Clc1ccc2nc(Cl)nc(Cl)c2n1.
What is the InChIKey of 2,4,6-trichloropyrido[3,2-d]pyrimidine?
The InChIKey is KPUMPJIRBVOFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(12-4)6(9)13-7(10)11-3/h1-2H.
What are the key properties of 2,4,6-trichloropyrido[3,2-d]pyrimidine?
2,4,6-trichloropyrido[3,2-d]pyrimidine has a molecular weight of 234.47 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloropyrido[3,2-d]pyrimidine is sourced from PubChem (CID 53488052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).