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

C8H4Cl2FN3S — CID 167468943

IUPAC2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4Cl2FN3S/c1-15-7-3-2-12-6(9)4(11)5(3)13-8(10)14-7/h2H,1H3
InChIKeyXNUIZMPOUQMFIL-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.19
Rot. Bonds1

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

2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine (PubChem CID 167468943) has the molecular formula C8H4Cl2FN3S and a molecular weight of 264.11 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine
PubChem CID167468943
Molecular FormulaC8H4Cl2FN3S
Molecular Weight264.11 g/mol
Exact Mass262.95
IUPAC Name2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4Cl2FN3S/c1-15-7-3-2-12-6(9)4(11)5(3)13-8(10)14-7/h2H,1H3
InChIKeyXNUIZMPOUQMFIL-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
4-[(6-Chloro-3-pyridinyl)methylsulfanyl]-6-fluoroquinazoline
CID 44428808
4-Chloro-7-fluoropyrido[4,3-d]pyrimidine
CID 10773817
7-Chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
CID 22134691
7-Chloro-2-[difluoro-(5-fluoropyridin-2-yl)methyl]-4-methylsulfanylquinazoline
CID 66609982
5-(Difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 123286980
4-Chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
CID 135394745
4-Chloro-5-fluoro-2-[(4-methyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidine
CID 141948364
4,7-Dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-D]pyrimidine
CID 154643904
2,7-Dichloro-8-fluoro-4-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidine
CID 154643976
4,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidine
CID 154644012

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine (CID 167468943) is 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine is CSc1nc(Cl)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine?
The InChIKey is XNUIZMPOUQMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3S/c1-15-7-3-2-12-6(9)4(11)5(3)13-8(10)14-7/h2H,1H3.
What are the key properties of 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-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 2,7-dichloro-8-fluoro-4-methylsulfanylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167468943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).