5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine

C10H10BrF2NO2 — CID 118949148

IUPAC5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine
SMILESCOc1ncc(Br)cc1C1(C(F)F)COC1
InChIInChI=1S/C10H10BrF2NO2/c1-15-8-7(2-6(11)3-14-8)10(9(12)13)4-16-5-10/h2-3,9H,4-5H2,1H3
InChIKeyIWTUDHGBPHTDEX-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.39
Rot. Bonds3

About 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine

5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine (PubChem CID 118949148) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine
PubChem CID118949148
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine
SMILESCOc1ncc(Br)cc1C1(C(F)F)COC1
InChIInChI=1S/C10H10BrF2NO2/c1-15-8-7(2-6(11)3-14-8)10(9(12)13)4-16-5-10/h2-3,9H,4-5H2,1H3
InChIKeyIWTUDHGBPHTDEX-UHFFFAOYSA-N
XLogP2.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-methoxy-3-pyridinyl)oxetane-3-carbaldehyde;[3-(5-bromo-2-methoxy-3-pyridinyl)oxetan-3-yl]methanol
CID 158597546
5-bromo-3-[1-(difluoromethyl)cyclobutyl]-2-methoxypyridine;5-bromo-3-[5-(difluoromethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-methoxypyridine;2-(5-bromo-2-methoxy-3-pyridinyl)-2-(difluoromethyl)propane-1,3-diol;5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxane-5-carbaldehyde;[5-(5-bromo-2-methoxy-3-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
CID 158642172
S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
CID 126518732
2-[[5-bromo-3-(3-fluorooxetan-3-yl)-2-pyridinyl]oxy]ethanol
CID 118949142
5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
CID 170994844
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
5-bromo-3-cyclopentyl-2-methoxypyridine
CID 172993694
(1S,5S)-5-(5-bromo-2-methoxy-3-pyridinyl)-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 126488215
[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol
CID 118948736
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 158282793
5-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-6-methylpyridin-3-amine
CID 125478362

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine?
The IUPAC name of 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine (CID 118949148) is 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine.
What is the SMILES notation for 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine?
The canonical SMILES for 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine is COc1ncc(Br)cc1C1(C(F)F)COC1.
What is the InChIKey of 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine?
The InChIKey is IWTUDHGBPHTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-15-8-7(2-6(11)3-14-8)10(9(12)13)4-16-5-10/h2-3,9H,4-5H2,1H3.
What are the key properties of 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine?
5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine has a molecular weight of 294.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine is sourced from PubChem (CID 118949148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).