1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol

C9H8BrF3N2O — CID 162745565

IUPAC1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
SMILESOC1(C(F)(F)F)CN(c2ccc(Br)cn2)C1
InChIInChI=1S/C9H8BrF3N2O/c10-6-1-2-7(14-3-6)15-4-8(16,5-15)9(11,12)13/h1-3,16H,4-5H2
InChIKeyFACFLNWPKBDEBX-UHFFFAOYSA-N
MW297.07 g/mol
LogP1.96
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol

1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 162745565) has the molecular formula C9H8BrF3N2O and a molecular weight of 297.07 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
PubChem CID162745565
Molecular FormulaC9H8BrF3N2O
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
SMILESOC1(C(F)(F)F)CN(c2ccc(Br)cn2)C1
InChIInChI=1S/C9H8BrF3N2O/c10-6-1-2-7(14-3-6)15-4-8(16,5-15)9(11,12)13/h1-3,16H,4-5H2
InChIKeyFACFLNWPKBDEBX-UHFFFAOYSA-N
XLogP1.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129320690
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
1-(5-bromo-2-pyridinyl)-4-[4-(trifluoromethylsulfonyl)phenyl]piperazine
CID 60502319
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128977056
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 140574461
4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
[3,5-bis(trifluoromethyl)phenyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 55656561
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
3-(5-bromo-2-pyridinyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 146270873

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol (CID 162745565) is 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol is OC1(C(F)(F)F)CN(c2ccc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is FACFLNWPKBDEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O/c10-6-1-2-7(14-3-6)15-4-8(16,5-15)9(11,12)13/h1-3,16H,4-5H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol?
1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 297.07 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 162745565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).