4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C14H10FN3OS — CID 59639533

IUPAC4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccccc2F)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C14H10FN3OS/c1-20-14-17-12(8-4-2-3-5-10(8)15)9-6-7-11(19)16-13(9)18-14/h2-7H,1H3,(H,16,17,18,19)
InChIKeyQECOBBIFJRGCMC-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.85
Rot. Bonds2

About 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639533) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639533
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccccc2F)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C14H10FN3OS/c1-20-14-17-12(8-4-2-3-5-10(8)15)9-6-7-11(19)16-13(9)18-14/h2-7H,1H3,(H,16,17,18,19)
InChIKeyQECOBBIFJRGCMC-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 59639533) is 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1nc(-c2ccccc2F)c2ccc(=O)[nH]c2n1.
What is the InChIKey of 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QECOBBIFJRGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c1-20-14-17-12(8-4-2-3-5-10(8)15)9-6-7-11(19)16-13(9)18-14/h2-7H,1H3,(H,16,17,18,19).
What are the key properties of 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 287.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).