3-(2-bromopropan-2-yloxy)pyridine

C8H10BrNO — CID 174735285

IUPAC3-(2-bromopropan-2-yloxy)pyridine
SMILESCC(C)(Br)Oc1cccnc1
InChIInChI=1S/C8H10BrNO/c1-8(2,9)11-7-4-3-5-10-6-7/h3-6H,1-2H3
InChIKeyCYJFXARNTWRHSH-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.59
Rot. Bonds2

About 3-(2-bromopropan-2-yloxy)pyridine

3-(2-bromopropan-2-yloxy)pyridine (PubChem CID 174735285) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-(2-bromopropan-2-yloxy)pyridine.

Molecular Properties

Compound Name3-(2-bromopropan-2-yloxy)pyridine
PubChem CID174735285
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name3-(2-bromopropan-2-yloxy)pyridine
SMILESCC(C)(Br)Oc1cccnc1
InChIInChI=1S/C8H10BrNO/c1-8(2,9)11-7-4-3-5-10-6-7/h3-6H,1-2H3
InChIKeyCYJFXARNTWRHSH-UHFFFAOYSA-N
XLogP2.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,4,4-trimethylpentan-2-yloxy)pyridine
CID 145496558
boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
CID 174682571
pyridin-3-yl hypochlorite
CID 91164948
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid
CID 110837098
2,3-dipyridin-3-yloxypyrazine
CID 139072759
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine
CID 146506619
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
2-pyridin-3-yloxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110487966
3-(2-chloroprop-2-enoxy)pyridine
CID 112558627

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromopropan-2-yloxy)pyridine?
The IUPAC name of 3-(2-bromopropan-2-yloxy)pyridine (CID 174735285) is 3-(2-bromopropan-2-yloxy)pyridine.
What is the SMILES notation for 3-(2-bromopropan-2-yloxy)pyridine?
The canonical SMILES for 3-(2-bromopropan-2-yloxy)pyridine is CC(C)(Br)Oc1cccnc1.
What is the InChIKey of 3-(2-bromopropan-2-yloxy)pyridine?
The InChIKey is CYJFXARNTWRHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-8(2,9)11-7-4-3-5-10-6-7/h3-6H,1-2H3.
What are the key properties of 3-(2-bromopropan-2-yloxy)pyridine?
3-(2-bromopropan-2-yloxy)pyridine has a molecular weight of 216.08 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopropan-2-yloxy)pyridine is sourced from PubChem (CID 174735285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).