4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one

C14H8Cl3N3O — CID 6294381

IUPAC4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESO=c1cc[nH]c2nc(C(Cl)(Cl)Cl)nc(-c3ccccc3)c12
InChIInChI=1S/C14H8Cl3N3O/c15-14(16,17)13-19-11(8-4-2-1-3-5-8)10-9(21)6-7-18-12(10)20-13/h1-7H,(H,18,19,20,21)
InChIKeyPPFCSDNKSRZUGA-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.81
Rot. Bonds1

About 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one

4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 6294381) has the molecular formula C14H8Cl3N3O and a molecular weight of 340.60 g/mol. Its IUPAC name is 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID6294381
Molecular FormulaC14H8Cl3N3O
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESO=c1cc[nH]c2nc(C(Cl)(Cl)Cl)nc(-c3ccccc3)c12
InChIInChI=1S/C14H8Cl3N3O/c15-14(16,17)13-19-11(8-4-2-1-3-5-8)10-9(21)6-7-18-12(10)20-13/h1-7H,(H,18,19,20,21)
InChIKeyPPFCSDNKSRZUGA-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one (CID 6294381) is 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one is O=c1cc[nH]c2nc(C(Cl)(Cl)Cl)nc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is PPFCSDNKSRZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O/c15-14(16,17)13-19-11(8-4-2-1-3-5-8)10-9(21)6-7-18-12(10)20-13/h1-7H,(H,18,19,20,21).
What are the key properties of 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 340.60 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 6294381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).