4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine

C8H4Cl2FN3S — CID 166610659

IUPAC4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2cc(F)c(Cl)nc2n1
InChIInChI=1S/C8H4Cl2FN3S/c1-15-8-13-5(9)3-2-4(11)6(10)12-7(3)14-8/h2H,1H3
InChIKeyUGIANOBZGQZIEL-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.19
Rot. Bonds1

About 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine

4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine (PubChem CID 166610659) has the molecular formula C8H4Cl2FN3S and a molecular weight of 264.11 g/mol. Its IUPAC name is 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
PubChem CID166610659
Molecular FormulaC8H4Cl2FN3S
Molecular Weight264.11 g/mol
Exact Mass262.95
IUPAC Name4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2cc(F)c(Cl)nc2n1
InChIInChI=1S/C8H4Cl2FN3S/c1-15-8-13-5(9)3-2-4(11)6(10)12-7(3)14-8/h2H,1H3
InChIKeyUGIANOBZGQZIEL-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-Trichloropyrido(2,3-d)pyrimidine
CID 37819133
7-Chloro-2-(methylthio)pyrido[2,3-d]pyrimidine
CID 22134673
4-Chloro-7-fluoropyrido[2,3-d]pyrimidine
CID 10821330
4-Chloro-7-fluoro-6-methylpyrido[2,3-d]pyrimidine
CID 21303213
7-Chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
CID 22134691
2,4-Dichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 58398896
2,4-Dichloro-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine
CID 58398905
4,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidine
CID 154644012
2,4,7-Trichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 165124012
4,7-Dichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidin-5-amine
CID 166138911
4,5,7-Trichloro-8-fluoro-2-(methylthio)pyrido[4,3-d]pyrimidine
CID 168876777
5,7-dichloro-4-(3,6-dihydro-2H-pyridin-1-yl)-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 170554101

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine (CID 166610659) is 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine is CSc1nc(Cl)c2cc(F)c(Cl)nc2n1.
What is the InChIKey of 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
The InChIKey is UGIANOBZGQZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3S/c1-15-8-13-5(9)3-2-4(11)6(10)12-7(3)14-8/h2H,1H3.
What are the key properties of 4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
4,7-dichloro-6-fluoro-2-methylsulfanylpyrido[2,3-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-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166610659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).