2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine

C12H9BrF3NO — CID 173165212

IUPAC2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(OC2=C(Br)CCC=C2)n1
InChIInChI=1S/C12H9BrF3NO/c13-8-4-1-2-5-9(8)18-11-7-3-6-10(17-11)12(14,15)16/h2-3,5-7H,1,4H2
InChIKeyUEZFBXBPOIUCMN-UHFFFAOYSA-N
MW320.11 g/mol
LogP4.44
Rot. Bonds2

About 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine

2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine (PubChem CID 173165212) has the molecular formula C12H9BrF3NO and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine
PubChem CID173165212
Molecular FormulaC12H9BrF3NO
Molecular Weight320.11 g/mol
Exact Mass318.98
IUPAC Name2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(OC2=C(Br)CCC=C2)n1
InChIInChI=1S/C12H9BrF3NO/c13-8-4-1-2-5-9(8)18-11-7-3-6-10(17-11)12(14,15)16/h2-3,5-7H,1,4H2
InChIKeyUEZFBXBPOIUCMN-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
CID 146306916
2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 63181050
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine
CID 86810983
3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 107680827
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde
CID 155753759
[3,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 65472714
3-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62109783
[3,5-dichloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thiourea
CID 169357762
[3-isocyano-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 123574922
2-(thiolan-3-yloxy)-6-(trifluoromethyl)pyridine
CID 126954786
(2R)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 99983296
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine (CID 173165212) is 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(OC2=C(Br)CCC=C2)n1.
What is the InChIKey of 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine?
The InChIKey is UEZFBXBPOIUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO/c13-8-4-1-2-5-9(8)18-11-7-3-6-10(17-11)12(14,15)16/h2-3,5-7H,1,4H2.
What are the key properties of 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine?
2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine has a molecular weight of 320.11 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclohexa-1,5-dien-1-yl)oxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 173165212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).