5-bromo-2-chloro-3-propan-2-yloxypyridine

C8H9BrClNO — CID 119013776

IUPAC5-bromo-2-chloro-3-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Br)cnc1Cl
InChIInChI=1S/C8H9BrClNO/c1-5(2)12-7-3-6(9)4-11-8(7)10/h3-5H,1-2H3
InChIKeyQPWDYXIBSFVGIV-UHFFFAOYSA-N
MW250.52 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-2-chloro-3-propan-2-yloxypyridine

5-bromo-2-chloro-3-propan-2-yloxypyridine (PubChem CID 119013776) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-propan-2-yloxypyridine
PubChem CID119013776
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name5-bromo-2-chloro-3-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(Br)cnc1Cl
InChIInChI=1S/C8H9BrClNO/c1-5(2)12-7-3-6(9)4-11-8(7)10/h3-5H,1-2H3
InChIKeyQPWDYXIBSFVGIV-UHFFFAOYSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9795625
3-(2-(S)-azetidinylmethoxy)-5-bromopyridine
CID 10421874
3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 11288721
2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine
CID 12056728
2-Chloro-3-methoxypyridine
CID 104252
3-Bromo-5-methoxypyridine
CID 817163
5-[(r)-2-Dimethylamino-1-propyloxy]-2-chloro-3-bromo pyridine
CID 9814622
(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9835390
5-[(R)-2-dimethylamino-1-propyloxy]-2-chloro-3-methyl pyridine
CID 9856017
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9921764
3-Bromo-2-chloro-5-((R)-pyrrolidin-3-yloxy)-pyridine
CID 10221264
5-[(s)-2-Dimethylamino-1-propyloxy]-2-chloro pyridine
CID 12112021

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-propan-2-yloxypyridine?
The IUPAC name of 5-bromo-2-chloro-3-propan-2-yloxypyridine (CID 119013776) is 5-bromo-2-chloro-3-propan-2-yloxypyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-propan-2-yloxypyridine?
The canonical SMILES for 5-bromo-2-chloro-3-propan-2-yloxypyridine is CC(C)Oc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-propan-2-yloxypyridine?
The InChIKey is QPWDYXIBSFVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO/c1-5(2)12-7-3-6(9)4-11-8(7)10/h3-5H,1-2H3.
What are the key properties of 5-bromo-2-chloro-3-propan-2-yloxypyridine?
5-bromo-2-chloro-3-propan-2-yloxypyridine has a molecular weight of 250.52 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-propan-2-yloxypyridine is sourced from PubChem (CID 119013776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).