7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H7Cl2F4N3O2 — CID 2100733

IUPAC7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cc(F)c(Cl)cc3Cl)nc21
InChIInChI=1S/C15H7Cl2F4N3O2/c1-24-12-11(13(25)23-14(24)26)6(15(19,20)21)3-10(22-12)5-2-9(18)8(17)4-7(5)16/h2-4H,1H3,(H,23,25,26)
InChIKeyBRABXTICWNEILO-UHFFFAOYSA-N
MW408.14 g/mol
LogP3.75
Rot. Bonds1

About 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2100733) has the molecular formula C15H7Cl2F4N3O2 and a molecular weight of 408.14 g/mol. Its IUPAC name is 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2100733
Molecular FormulaC15H7Cl2F4N3O2
Molecular Weight408.14 g/mol
Exact Mass406.99
IUPAC Name7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cc(F)c(Cl)cc3Cl)nc21
InChIInChI=1S/C15H7Cl2F4N3O2/c1-24-12-11(13(25)23-14(24)26)6(15(19,20)21)3-10(22-12)5-2-9(18)8(17)4-7(5)16/h2-4H,1H3,(H,23,25,26)
InChIKeyBRABXTICWNEILO-UHFFFAOYSA-N
XLogP3.75
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2100733) is 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cc(F)c(Cl)cc3Cl)nc21.
What is the InChIKey of 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BRABXTICWNEILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F4N3O2/c1-24-12-11(13(25)23-14(24)26)6(15(19,20)21)3-10(22-12)5-2-9(18)8(17)4-7(5)16/h2-4H,1H3,(H,23,25,26).
What are the key properties of 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 408.14 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichloro-5-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2100733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).