3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C19H13Cl2F4N3O4 — CID 153426098

IUPAC3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOc1ncccc1Oc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1Cl
InChIInChI=1S/C19H13Cl2F4N3O4/c1-2-6-31-17-11(4-3-5-26-17)32-16-9(20)7-10(22)15(14(16)21)28-13(29)8-12(19(23,24)25)27-18(28)30/h3-5,7-8H,2,6H2,1H3,(H,27,30)
InChIKeyVEHYWVBWSXIGQB-UHFFFAOYSA-N
MW494.23 g/mol
LogP4.97
Rot. Bonds6

About 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 153426098) has the molecular formula C19H13Cl2F4N3O4 and a molecular weight of 494.23 g/mol. Its IUPAC name is 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID153426098
Molecular FormulaC19H13Cl2F4N3O4
Molecular Weight494.23 g/mol
Exact Mass493.02
IUPAC Name3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCCCOc1ncccc1Oc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1Cl
InChIInChI=1S/C19H13Cl2F4N3O4/c1-2-6-31-17-11(4-3-5-26-17)32-16-9(20)7-10(22)15(14(16)21)28-13(29)8-12(19(23,24)25)27-18(28)30/h3-5,7-8H,2,6H2,1H3,(H,27,30)
InChIKeyVEHYWVBWSXIGQB-UHFFFAOYSA-N
XLogP4.97
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 153426098) is 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CCCOc1ncccc1Oc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c1Cl.
What is the InChIKey of 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VEHYWVBWSXIGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F4N3O4/c1-2-6-31-17-11(4-3-5-26-17)32-16-9(20)7-10(22)15(14(16)21)28-13(29)8-12(19(23,24)25)27-18(28)30/h3-5,7-8H,2,6H2,1H3,(H,27,30).
What are the key properties of 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 494.23 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dichloro-6-fluoro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 153426098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).