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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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).