2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine

C8H3Cl3FN3 — CID 166069124

IUPAC2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c(F)c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H3Cl3FN3/c1-2-3-5(4(12)7(10)13-2)14-8(11)15-6(3)9/h1H3
InChIKeyOKBRYBCUTZSNFC-UHFFFAOYSA-N
MW266.49 g/mol
LogP3.43
Rot. Bonds

About 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine

2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine (PubChem CID 166069124) has the molecular formula C8H3Cl3FN3 and a molecular weight of 266.49 g/mol. Its IUPAC name is 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
PubChem CID166069124
Molecular FormulaC8H3Cl3FN3
Molecular Weight266.49 g/mol
Exact Mass264.94
IUPAC Name2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c(F)c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H3Cl3FN3/c1-2-3-5(4(12)7(10)13-2)14-8(11)15-6(3)9/h1H3
InChIKeyOKBRYBCUTZSNFC-UHFFFAOYSA-N
XLogP3.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.49
LogP ≤ 53.43
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 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine (CID 166069124) is 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)c(F)c2nc(Cl)nc(Cl)c12.
What is the InChIKey of 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
The InChIKey is OKBRYBCUTZSNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3FN3/c1-2-3-5(4(12)7(10)13-2)14-8(11)15-6(3)9/h1H3.
What are the key properties of 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine?
2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine has a molecular weight of 266.49 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 166069124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).