5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine

C18H13F4N3O2 — CID 126714518

IUPAC5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
SMILESCOc1ncc(F)cc1-c1cccnc1Oc1cnc(C(F)(F)F)c(C)c1
InChIInChI=1S/C18H13F4N3O2/c1-10-6-12(9-24-15(10)18(20,21)22)27-17-13(4-3-5-23-17)14-7-11(19)8-25-16(14)26-2/h3-9H,1-2H3
InChIKeyPMFJQQDKRBGHHZ-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.81
Rot. Bonds4

About 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine

5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine (PubChem CID 126714518) has the molecular formula C18H13F4N3O2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
PubChem CID126714518
Molecular FormulaC18H13F4N3O2
Molecular Weight379.31 g/mol
Exact Mass379.09
IUPAC Name5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
SMILESCOc1ncc(F)cc1-c1cccnc1Oc1cnc(C(F)(F)F)c(C)c1
InChIInChI=1S/C18H13F4N3O2/c1-10-6-12(9-24-15(10)18(20,21)22)27-17-13(4-3-5-23-17)14-7-11(19)8-25-16(14)26-2/h3-9H,1-2H3
InChIKeyPMFJQQDKRBGHHZ-UHFFFAOYSA-N
XLogP4.81
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 118419773
CID 118419773
CID 15480241
CID 15480241
CID 118420559
CID 118420559
CID 118429626
CID 118429626
CID 118429629
CID 118429629
CID 20744808
CID 20744808
CID 145981780
CID 145981780
CID 42628229
CID 42628229
CID 66829595
CID 66829595
CID 118419975
CID 118419975
CID 118420039
CID 118420039
CID 118429771
CID 118429771

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The IUPAC name of 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine (CID 126714518) is 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine is COc1ncc(F)cc1-c1cccnc1Oc1cnc(C(F)(F)F)c(C)c1.
What is the InChIKey of 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
The InChIKey is PMFJQQDKRBGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2/c1-10-6-12(9-24-15(10)18(20,21)22)27-17-13(4-3-5-23-17)14-7-11(19)8-25-16(14)26-2/h3-9H,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine?
5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine has a molecular weight of 379.31 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-[2-[[5-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine is sourced from PubChem (CID 126714518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).