5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine

C19H19BrF3NO — CID 68813696

IUPAC5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1cc(COc2ccc(Br)cn2)ccc1C1CCCCC1
InChIInChI=1S/C19H19BrF3NO/c20-15-7-9-18(24-11-15)25-12-13-6-8-16(14-4-2-1-3-5-14)17(10-13)19(21,22)23/h6-11,14H,1-5,12H2
InChIKeyPFBGPCZQWDLZOU-UHFFFAOYSA-N
MW414.27 g/mol
LogP6.49
Rot. Bonds4

About 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine

5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine (PubChem CID 68813696) has the molecular formula C19H19BrF3NO and a molecular weight of 414.27 g/mol. Its IUPAC name is 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine
PubChem CID68813696
Molecular FormulaC19H19BrF3NO
Molecular Weight414.27 g/mol
Exact Mass413.06
IUPAC Name5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1cc(COc2ccc(Br)cn2)ccc1C1CCCCC1
InChIInChI=1S/C19H19BrF3NO/c20-15-7-9-18(24-11-15)25-12-13-6-8-16(14-4-2-1-3-5-14)17(10-13)19(21,22)23/h6-11,14H,1-5,12H2
InChIKeyPFBGPCZQWDLZOU-UHFFFAOYSA-N
XLogP6.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.27
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine (CID 68813696) is 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine is FC(F)(F)c1cc(COc2ccc(Br)cn2)ccc1C1CCCCC1.
What is the InChIKey of 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is PFBGPCZQWDLZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3NO/c20-15-7-9-18(24-11-15)25-12-13-6-8-16(14-4-2-1-3-5-14)17(10-13)19(21,22)23/h6-11,14H,1-5,12H2.
What are the key properties of 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine?
5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 414.27 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 68813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).