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

C12H15BrFNO2 — CID 170351321

IUPAC2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Br)nc(C2(F)CCOC2)c1
InChIInChI=1S/C12H15BrFNO2/c1-8(2)17-9-5-10(15-11(13)6-9)12(14)3-4-16-7-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUAHIWRVQTSVHCC-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.22
Rot. Bonds3

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

2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine (PubChem CID 170351321) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine
PubChem CID170351321
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Br)nc(C2(F)CCOC2)c1
InChIInChI=1S/C12H15BrFNO2/c1-8(2)17-9-5-10(15-11(13)6-9)12(14)3-4-16-7-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUAHIWRVQTSVHCC-UHFFFAOYSA-N
XLogP3.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.22
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

2-Bromo-6-(2-fluoro-3-methoxyphenyl)pyridine
CID 82812113
4-Bromo-2-(tert-butyl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 90150838
6-Bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine
CID 91059530
2-Bromo-6-(3-ethoxy-2-fluorophenyl)pyridine
CID 117895871
2-Bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine
CID 118640668
6-Bromo-3-[2-(4-fluorophenyl)ethoxy]-2-methylpyridine
CID 135206260
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
2-Bromo-3-fluoro-4-methoxy-6-propan-2-ylpyridine
CID 170075893
2-Bromo-6-(3-fluorooxolan-3-yl)-4-methoxypyridine
CID 170351317
2-Bromo-6-(2-fluoropropan-2-yl)-4-methoxypyridine
CID 170351338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine?
The IUPAC name of 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine (CID 170351321) is 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine.
What is the SMILES notation for 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine?
The canonical SMILES for 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine is CC(C)Oc1cc(Br)nc(C2(F)CCOC2)c1.
What is the InChIKey of 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine?
The InChIKey is UAHIWRVQTSVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-8(2)17-9-5-10(15-11(13)6-9)12(14)3-4-16-7-12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine?
2-bromo-6-(3-fluorooxolan-3-yl)-4-propan-2-yloxypyridine has a molecular weight of 304.16 g/mol, XLogP of 3.22, 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-fluorooxolan-3-yl)-4-propan-2-yloxypyridine is sourced from PubChem (CID 170351321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).