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

C9H7ClFN3S — CID 169184306

IUPAC7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1nc(C)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C9H7ClFN3S/c1-4-5-3-12-8(10)6(11)7(5)14-9(13-4)15-2/h3H,1-2H3
InChIKeyQMAAHRKVKBMBLA-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.85
Rot. Bonds1

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

7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine (PubChem CID 169184306) has the molecular formula C9H7ClFN3S and a molecular weight of 243.69 g/mol. Its IUPAC name is 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
PubChem CID169184306
Molecular FormulaC9H7ClFN3S
Molecular Weight243.69 g/mol
Exact Mass243.00
IUPAC Name7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1nc(C)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C9H7ClFN3S/c1-4-5-3-12-8(10)6(11)7(5)14-9(13-4)15-2/h3H,1-2H3
InChIKeyQMAAHRKVKBMBLA-UHFFFAOYSA-N
XLogP2.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine (CID 169184306) is 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine is CSc1nc(C)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The InChIKey is QMAAHRKVKBMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3S/c1-4-5-3-12-8(10)6(11)7(5)14-9(13-4)15-2/h3H,1-2H3.
What are the key properties of 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine has a molecular weight of 243.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-4-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 169184306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).