2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine

C11H13BrFNO2 — CID 177282253

IUPAC2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Br)nc(C2(F)COC2)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(2)16-8-3-9(14-10(12)4-8)11(13)5-15-6-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPDZGLODNWYGGKP-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine

2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine (PubChem CID 177282253) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine
PubChem CID177282253
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Br)nc(C2(F)COC2)c1
InChIInChI=1S/C11H13BrFNO2/c1-7(2)16-8-3-9(14-10(12)4-8)11(13)5-15-6-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPDZGLODNWYGGKP-UHFFFAOYSA-N
XLogP2.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-Bromo-2-fluoro-phenoxy)-2,6-dimethyl-pyridine
CID 59287313
4-(4-Bromo-3-fluoro-phenoxy)-2,6-dimethyl-pyridine
CID 59287328
2-bromo-6-[(1R)-1-(2,4-difluorophenoxy)ethyl]pyridine
CID 87326845
2-Bromo-6-[1-(2,4-difluorophenoxy)ethyl]pyridine
CID 87326846
2-bromo-6-[(1R)-1-(3-fluorophenoxy)ethyl]pyridine
CID 87327236
2-Bromo-6-[1-(3-fluorophenoxy)ethyl]pyridine
CID 87327237
4-Bromo-2-(tert-butyl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 90150838
2-Bromo-6-(3-ethoxy-2-fluorophenyl)pyridine
CID 117895871
2-Bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine
CID 118640668
2-Bromo-4-((4-methoxybenzyl)oxy)-6-(4-(trifluoromethyl)phenyl)pyridine
CID 142577557
3-Bromo-6-(cyclopentylmethyl)-2-fluoro-4-methoxypyridine
CID 142600065
2-Bromo-6-tert-butyl-3-fluoro-4-methoxypyridine
CID 153306799

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine?
The IUPAC name of 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine (CID 177282253) is 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine.
What is the SMILES notation for 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine?
The canonical SMILES for 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine is CC(C)Oc1cc(Br)nc(C2(F)COC2)c1.
What is the InChIKey of 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine?
The InChIKey is PDZGLODNWYGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(2)16-8-3-9(14-10(12)4-8)11(13)5-15-6-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine?
2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine has a molecular weight of 290.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-fluorooxetan-3-yl)-4-propan-2-yloxypyridine is sourced from PubChem (CID 177282253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).