4,5,7-trichloropyrido[4,3-d]pyrimidine

C7H2Cl3N3 — CID 130057009

IUPAC4,5,7-trichloropyrido[4,3-d]pyrimidine
SMILESClc1cc2ncnc(Cl)c2c(Cl)n1
InChIInChI=1S/C7H2Cl3N3/c8-4-1-3-5(7(10)13-4)6(9)12-2-11-3/h1-2H
InChIKeyJKFKYUKVPGRUIL-UHFFFAOYSA-N
MW234.47 g/mol
LogP2.98
Rot. Bonds

About 4,5,7-trichloropyrido[4,3-d]pyrimidine

4,5,7-trichloropyrido[4,3-d]pyrimidine (PubChem CID 130057009) has the molecular formula C7H2Cl3N3 and a molecular weight of 234.47 g/mol. Its IUPAC name is 4,5,7-trichloropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4,5,7-trichloropyrido[4,3-d]pyrimidine
PubChem CID130057009
Molecular FormulaC7H2Cl3N3
Molecular Weight234.47 g/mol
Exact Mass232.93
IUPAC Name4,5,7-trichloropyrido[4,3-d]pyrimidine
SMILESClc1cc2ncnc(Cl)c2c(Cl)n1
InChIInChI=1S/C7H2Cl3N3/c8-4-1-3-5(7(10)13-4)6(9)12-2-11-3/h1-2H
InChIKeyJKFKYUKVPGRUIL-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 4,5,7-trichloropyrido[4,3-d]pyrimidine?
The IUPAC name of 4,5,7-trichloropyrido[4,3-d]pyrimidine (CID 130057009) is 4,5,7-trichloropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4,5,7-trichloropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4,5,7-trichloropyrido[4,3-d]pyrimidine is Clc1cc2ncnc(Cl)c2c(Cl)n1.
What is the InChIKey of 4,5,7-trichloropyrido[4,3-d]pyrimidine?
The InChIKey is JKFKYUKVPGRUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3N3/c8-4-1-3-5(7(10)13-4)6(9)12-2-11-3/h1-2H.
What are the key properties of 4,5,7-trichloropyrido[4,3-d]pyrimidine?
4,5,7-trichloropyrido[4,3-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 4,5,7-trichloropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 130057009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).