4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one

C15H10Cl2FN3O — CID 163377959

IUPAC4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one
SMILESCc1cccc(C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H10Cl2FN3O/c1-7-4-3-5-8(2)11(7)21-14-9(12(16)20-15(21)22)6-10(18)13(17)19-14/h3-6H,1-2H3
InChIKeyXHAQICBNXODDGQ-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.84
Rot. Bonds1

About 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one

4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one (PubChem CID 163377959) has the molecular formula C15H10Cl2FN3O and a molecular weight of 338.17 g/mol. Its IUPAC name is 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one
PubChem CID163377959
Molecular FormulaC15H10Cl2FN3O
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one
SMILESCc1cccc(C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H10Cl2FN3O/c1-7-4-3-5-8(2)11(7)21-14-9(12(16)20-15(21)22)6-10(18)13(17)19-14/h3-6H,1-2H3
InChIKeyXHAQICBNXODDGQ-UHFFFAOYSA-N
XLogP3.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.84
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 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one (CID 163377959) is 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one is Cc1cccc(C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.
What is the InChIKey of 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is XHAQICBNXODDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O/c1-7-4-3-5-8(2)11(7)21-14-9(12(16)20-15(21)22)6-10(18)13(17)19-14/h3-6H,1-2H3.
What are the key properties of 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one?
4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 338.17 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-(2,6-dimethylphenyl)-6-fluoropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 163377959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).