2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C16H14FN3O2 — CID 135899322

IUPAC2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2ccccc2F)nc2ncccc12
InChIInChI=1S/C16H14FN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)
InChIKeyPXVKCKHQSQLCHO-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.22
Rot. Bonds5

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

2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899322) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899322
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2ccccc2F)nc2ncccc12
InChIInChI=1S/C16H14FN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)
InChIKeyPXVKCKHQSQLCHO-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899322) is 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(COCCc2ccccc2F)nc2ncccc12.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PXVKCKHQSQLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21).
What are the key properties of 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 299.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).