4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine

C8H4Cl2FN3S — CID 154644012

IUPAC4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1nc(Cl)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C8H4Cl2FN3S/c1-15-8-13-5-3(6(9)14-8)2-12-7(10)4(5)11/h2H,1H3
InChIKeyQOZFRTHMDJLTPB-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.19
Rot. Bonds1

About 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine

4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine (PubChem CID 154644012) has the molecular formula C8H4Cl2FN3S and a molecular weight of 264.11 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
PubChem CID154644012
Molecular FormulaC8H4Cl2FN3S
Molecular Weight264.11 g/mol
Exact Mass262.95
IUPAC Name4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1nc(Cl)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C8H4Cl2FN3S/c1-15-8-13-5-3(6(9)14-8)2-12-7(10)4(5)11/h2H,1H3
InChIKeyQOZFRTHMDJLTPB-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
5-Chloro-2-(methylsulfanyl)pyrido(4,3-d)pyrimidine
CID 71741586
8-Bromo-4-chloropyrido[4,3-d]pyrimidine
CID 86675691
5-Chloropyrido[4,3-d]pyrimidine
CID 55265596
5-Chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
CID 45106185
7-Chloro-2-(methylthio)pyrido[2,3-d]pyrimidine
CID 22134673
4-Chloro-6-fluoropyrido[3,4-D]pyrimidine
CID 10679041
4-Chloro-7-fluoropyrido[4,3-d]pyrimidine
CID 10773817
7-Chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
CID 22134691
2,4-Dichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 58398896
4-[6-Chloro-5-(1-chloroethenyl)-2-(4-fluorophenyl)-3-pyridinyl]-2-methylsulfanylpyrimidine
CID 87456683
Pyrido[4,3-d]pyrimidine, 5-(difluoromethyl)-2-(methylthio)-
CID 90037033

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine (CID 154644012) is 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine is CSc1nc(Cl)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The InChIKey is QOZFRTHMDJLTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3S/c1-15-8-13-5-3(6(9)14-8)2-12-7(10)4(5)11/h2H,1H3.
What are the key properties of 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine?
4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine has a molecular weight of 264.11 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).