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

C8H5ClFN3S — CID 22134691

IUPAC7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
SMILESCSc1ncc2cc(F)c(Cl)nc2n1
InChIInChI=1S/C8H5ClFN3S/c1-14-8-11-3-4-2-5(10)6(9)12-7(4)13-8/h2-3H,1H3
InChIKeyKNLKKWMQDADZHW-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.54
Rot. Bonds1

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

7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine (PubChem CID 22134691) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
PubChem CID22134691
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine
SMILESCSc1ncc2cc(F)c(Cl)nc2n1
InChIInChI=1S/C8H5ClFN3S/c1-14-8-11-3-4-2-5(10)6(9)12-7(4)13-8/h2-3H,1H3
InChIKeyKNLKKWMQDADZHW-UHFFFAOYSA-N
XLogP2.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.54
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-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
The IUPAC name of 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine (CID 22134691) is 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine is CSc1ncc2cc(F)c(Cl)nc2n1.
What is the InChIKey of 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
The InChIKey is KNLKKWMQDADZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c1-14-8-11-3-4-2-5(10)6(9)12-7(4)13-8/h2-3H,1H3.
What are the key properties of 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine?
7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine has a molecular weight of 229.67 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2-methylsulfanylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 22134691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).