3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine

C18H11F8N3O — CID 11293516

IUPAC3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2cc(C(F)(F)F)nn2C)c1F
InChIInChI=1S/C18H11F8N3O/c1-8-13(19)15(11-7-12(18(24,25)26)28-29(11)2)27-16(14(8)20)30-10-5-3-4-9(6-10)17(21,22)23/h3-7H,1-2H3
InChIKeyWAHJODAVRKLPEX-UHFFFAOYSA-N
MW437.29 g/mol
LogP5.90
Rot. Bonds3

About 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine

3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 11293516) has the molecular formula C18H11F8N3O and a molecular weight of 437.29 g/mol. Its IUPAC name is 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID11293516
Molecular FormulaC18H11F8N3O
Molecular Weight437.29 g/mol
Exact Mass437.08
IUPAC Name3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2cc(C(F)(F)F)nn2C)c1F
InChIInChI=1S/C18H11F8N3O/c1-8-13(19)15(11-7-12(18(24,25)26)28-29(11)2)27-16(14(8)20)30-10-5-3-4-9(6-10)17(21,22)23/h3-7H,1-2H3
InChIKeyWAHJODAVRKLPEX-UHFFFAOYSA-N
XLogP5.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine
CID 156022514
3-(4-Methoxy-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992584
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189799
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16192340
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-(4-pyridinylmethyl)ethanamine
CID 16192364
2-[4-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 44351275
2-(3,5-Diethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
CID 155352248
2-(3-Ethyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
CID 155352297
2-(3,5-Dimethylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
CID 155352384
2-(3-Butyl-5-methylphenoxy)-6-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyridine
CID 155352406
2-(3,5-Dimethylphenoxy)-6-[5-(4-fluorophenyl)-3-piperidin-4-yltriazol-4-yl]pyridine
CID 155352432
2-[(2,6-Difluorophenyl)methoxy]-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 71105372

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine (CID 11293516) is 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine is Cc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2cc(C(F)(F)F)nn2C)c1F.
What is the InChIKey of 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is WAHJODAVRKLPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F8N3O/c1-8-13(19)15(11-7-12(18(24,25)26)28-29(11)2)27-16(14(8)20)30-10-5-3-4-9(6-10)17(21,22)23/h3-7H,1-2H3.
What are the key properties of 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 437.29 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 11293516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).