1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol

C10H9BrF3NO — CID 138609278

IUPAC1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
SMILESOC1(c2cc(C(F)(F)F)ncc2Br)CCC1
InChIInChI=1S/C10H9BrF3NO/c11-7-5-15-8(10(12,13)14)4-6(7)9(16)2-1-3-9/h4-5,16H,1-3H2
InChIKeyGSTNZJNXYYYRCS-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.23
Rot. Bonds1

About 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol

1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol (PubChem CID 138609278) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
PubChem CID138609278
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
SMILESOC1(c2cc(C(F)(F)F)ncc2Br)CCC1
InChIInChI=1S/C10H9BrF3NO/c11-7-5-15-8(10(12,13)14)4-6(7)9(16)2-1-3-9/h4-5,16H,1-3H2
InChIKeyGSTNZJNXYYYRCS-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(trifluoromethyl)pyrimidin-2-yl]cyclobutan-1-ol
CID 163274460
4-bromo-3-(1-hydroxycyclopentyl)phenol
CID 117104137
(1S)-1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]-2,2,2-trifluoroethanol
CID 97114288
4-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 91757612
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]-2,2,2-trifluoroethanone;hydrate
CID 131699636
1-[2-(trifluoromethyl)pyrimidin-5-yl]cyclohexan-1-ol
CID 155060677
4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 117104002
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
CID 130893901
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
CID 164896669
1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
CID 117104296
ethyl 2-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097921
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine
CID 175968743

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol (CID 138609278) is 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol is OC1(c2cc(C(F)(F)F)ncc2Br)CCC1.
What is the InChIKey of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
The InChIKey is GSTNZJNXYYYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c11-7-5-15-8(10(12,13)14)4-6(7)9(16)2-1-3-9/h4-5,16H,1-3H2.
What are the key properties of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol?
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol has a molecular weight of 296.09 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 138609278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).