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

C19H19BrF3NO — CID 140802399

IUPAC3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine
SMILESFC(F)(F)c1ccccc1C1CCC(OCc2ncccc2Br)CC1
InChIInChI=1S/C19H19BrF3NO/c20-17-6-3-11-24-18(17)12-25-14-9-7-13(8-10-14)15-4-1-2-5-16(15)19(21,22)23/h1-6,11,13-14H,7-10,12H2
InChIKeyAPMAHAGOARCFRL-UHFFFAOYSA-N
MW414.27 g/mol
LogP6.11
Rot. Bonds4

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

3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine (PubChem CID 140802399) has the molecular formula C19H19BrF3NO and a molecular weight of 414.27 g/mol. Its IUPAC name is 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine
PubChem CID140802399
Molecular FormulaC19H19BrF3NO
Molecular Weight414.27 g/mol
Exact Mass413.06
IUPAC Name3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine
SMILESFC(F)(F)c1ccccc1C1CCC(OCc2ncccc2Br)CC1
InChIInChI=1S/C19H19BrF3NO/c20-17-6-3-11-24-18(17)12-25-14-9-7-13(8-10-14)15-4-1-2-5-16(15)19(21,22)23/h1-6,11,13-14H,7-10,12H2
InChIKeyAPMAHAGOARCFRL-UHFFFAOYSA-N
XLogP6.11
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 ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine?
The IUPAC name of 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine (CID 140802399) is 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine.
What is the SMILES notation for 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine?
The canonical SMILES for 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine is FC(F)(F)c1ccccc1C1CCC(OCc2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine?
The InChIKey is APMAHAGOARCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrF3NO/c20-17-6-3-11-24-18(17)12-25-14-9-7-13(8-10-14)15-4-1-2-5-16(15)19(21,22)23/h1-6,11,13-14H,7-10,12H2.
What are the key properties of 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine?
3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine has a molecular weight of 414.27 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]pyridine is sourced from PubChem (CID 140802399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).