3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine

C19H12F8N2O — CID 11750924

IUPAC3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(F)c(Oc2cc(C(F)(F)F)cn2C)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C19H12F8N2O/c1-9-14(20)16(10-3-5-11(6-4-10)18(22,23)24)28-17(15(9)21)30-13-7-12(8-29(13)2)19(25,26)27/h3-8H,1-2H3
InChIKeyBREKLMLLMFGDTB-UHFFFAOYSA-N
MW436.30 g/mol
LogP6.50
Rot. Bonds3

About 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine

3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 11750924) has the molecular formula C19H12F8N2O and a molecular weight of 436.30 g/mol. Its IUPAC name is 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID11750924
Molecular FormulaC19H12F8N2O
Molecular Weight436.30 g/mol
Exact Mass436.08
IUPAC Name3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1c(F)c(Oc2cc(C(F)(F)F)cn2C)nc(-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C19H12F8N2O/c1-9-14(20)16(10-3-5-11(6-4-10)18(22,23)24)28-17(15(9)21)30-13-7-12(8-29(13)2)19(25,26)27/h3-8H,1-2H3
InChIKeyBREKLMLLMFGDTB-UHFFFAOYSA-N
XLogP6.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine (CID 11750924) is 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1c(F)c(Oc2cc(C(F)(F)F)cn2C)nc(-c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BREKLMLLMFGDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F8N2O/c1-9-14(20)16(10-3-5-11(6-4-10)18(22,23)24)28-17(15(9)21)30-13-7-12(8-29(13)2)19(25,26)27/h3-8H,1-2H3.
What are the key properties of 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 436.30 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methyl-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]oxy-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 11750924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).