3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C18H12ClF4N3O3 — CID 23377289

IUPAC3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)nc3)cc2F)c1=O
InChIInChI=1S/C18H12ClF4N3O3/c1-25-14(18(21,22)23)7-16(27)26(17(25)28)13-4-3-11(6-12(13)20)29-9-10-2-5-15(19)24-8-10/h2-8H,9H2,1H3
InChIKeyMNTCILMJOXEYOJ-UHFFFAOYSA-N
MW429.76 g/mol
LogP3.32
Rot. Bonds4

About 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 23377289) has the molecular formula C18H12ClF4N3O3 and a molecular weight of 429.76 g/mol. Its IUPAC name is 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID23377289
Molecular FormulaC18H12ClF4N3O3
Molecular Weight429.76 g/mol
Exact Mass429.05
IUPAC Name3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)nc3)cc2F)c1=O
InChIInChI=1S/C18H12ClF4N3O3/c1-25-14(18(21,22)23)7-16(27)26(17(25)28)13-4-3-11(6-12(13)20)29-9-10-2-5-15(19)24-8-10/h2-8H,9H2,1H3
InChIKeyMNTCILMJOXEYOJ-UHFFFAOYSA-N
XLogP3.32
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11145178
3-(6-chloro-3-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 134123749
1-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-3-methyl-2,6-dioxopyrimidine-4-carbonitrile
CID 57222021
3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174383286
3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 19975255
3-(2-but-2-ynoxy-4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 57052429
ethyl N-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]carbamate
CID 18960425
3-(4-chloro-2-fluoro-5-propylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174518942
1-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 171984821
3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 153426099
[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl] N-methylcarbamate
CID 54176892
3-(3-benzyl-4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 173403896

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 23377289) is 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)nc3)cc2F)c1=O.
What is the InChIKey of 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MNTCILMJOXEYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O3/c1-25-14(18(21,22)23)7-16(27)26(17(25)28)13-4-3-11(6-12(13)20)29-9-10-2-5-15(19)24-8-10/h2-8H,9H2,1H3.
What are the key properties of 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 429.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-chloro-3-pyridinyl)methoxy]-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 23377289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).