5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

C17H10F5N3O2 — CID 135235968

IUPAC5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(F)c(F)cc1-c1cncnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H10F5N3O2/c1-26-14-5-13(19)12(18)4-10(14)11-7-23-8-25-16(11)27-9-2-3-15(24-6-9)17(20,21)22/h2-8H,1H3
InChIKeySXZAJVRKGLRADR-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.64
Rot. Bonds4

About 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 135235968) has the molecular formula C17H10F5N3O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID135235968
Molecular FormulaC17H10F5N3O2
Molecular Weight383.28 g/mol
Exact Mass383.07
IUPAC Name5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCOc1cc(F)c(F)cc1-c1cncnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H10F5N3O2/c1-26-14-5-13(19)12(18)4-10(14)11-7-23-8-25-16(11)27-9-2-3-15(24-6-9)17(20,21)22/h2-8H,1H3
InChIKeySXZAJVRKGLRADR-UHFFFAOYSA-N
XLogP4.64
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235718
4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 126714412
5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135246573
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(difluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235905
5-(4-fluoro-2-methoxyphenyl)-4-(4-methylphenoxy)pyrimidine
CID 135246927
5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
CID 135246796
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 135246831
5-(3-methoxy-5-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyridine
CID 177185793
5-bromo-4-[[6-(1,1-difluoro-2-iodoethyl)-3-pyridinyl]oxy]pyrimidine
CID 140963801
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
CID 135235795
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
CID 135235764

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (CID 135235968) is 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is COc1cc(F)c(F)cc1-c1cncnc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is SXZAJVRKGLRADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N3O2/c1-26-14-5-13(19)12(18)4-10(14)11-7-23-8-25-16(11)27-9-2-3-15(24-6-9)17(20,21)22/h2-8H,1H3.
What are the key properties of 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 383.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 135235968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).