2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine

C7Cl4FN3 — CID 166453925

IUPAC2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)nc(Cl)c2c(Cl)nc(Cl)nc12
InChIInChI=1S/C7Cl4FN3/c8-4-1-3(2(12)6(10)14-4)13-7(11)15-5(1)9
InChIKeyNXOXEWIRSXSBHV-UHFFFAOYSA-N
MW286.91 g/mol
LogP3.78
Rot. Bonds

About 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine

2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 166453925) has the molecular formula C7Cl4FN3 and a molecular weight of 286.91 g/mol. Its IUPAC name is 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID166453925
Molecular FormulaC7Cl4FN3
Molecular Weight286.91 g/mol
Exact Mass284.88
IUPAC Name2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)nc(Cl)c2c(Cl)nc(Cl)nc12
InChIInChI=1S/C7Cl4FN3/c8-4-1-3(2(12)6(10)14-4)13-7(11)15-5(1)9
InChIKeyNXOXEWIRSXSBHV-UHFFFAOYSA-N
XLogP3.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.91
LogP ≤ 53.78
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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Related Compounds

2,4,7-Trichloro-8-fluoropyrido(4,3-d)pyrimidine
CID 154644243
4,7-Dichloro-8-fluoropyrido[4,3-D]pyrimidine
CID 154644084
2,7-Dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine
CID 155630325
2,7-Dichloro-8-fluoro-pyrido[4,3-D]pyrimidine
CID 164534222
2,4,7-Trichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 165124012
2,4,7-Trichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidine
CID 166069124
4,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidine-5-carbonitrile
CID 166138852
4,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-5-amine
CID 166138911
5-Chloro-8-fluoropyrido[4,3-d]pyrimidine
CID 167294060
2,4-Dichloro-8-fluoro-7-methylpyrido[4,3-d]pyrimidine
CID 167468932
4,5,7-Trichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidine
CID 168876777
5-But-1-ynyl-2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine
CID 169686298

Frequently Asked Questions

What is the IUPAC name of 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine (CID 166453925) is 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine is Fc1c(Cl)nc(Cl)c2c(Cl)nc(Cl)nc12.
What is the InChIKey of 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is NXOXEWIRSXSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl4FN3/c8-4-1-3(2(12)6(10)14-4)13-7(11)15-5(1)9.
What are the key properties of 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine?
2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 286.91 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,7-tetrachloro-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 166453925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).