2-bromo-3-(3-methylbutan-2-yloxy)pyridine

C10H14BrNO — CID 131142867

IUPAC2-bromo-3-(3-methylbutan-2-yloxy)pyridine
SMILESCC(C)C(C)Oc1cccnc1Br
InChIInChI=1S/C10H14BrNO/c1-7(2)8(3)13-9-5-4-6-12-10(9)11/h4-8H,1-3H3
InChIKeyKIXAEIQFDVEVKP-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.27
Rot. Bonds3

About 2-bromo-3-(3-methylbutan-2-yloxy)pyridine

2-bromo-3-(3-methylbutan-2-yloxy)pyridine (PubChem CID 131142867) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-bromo-3-(3-methylbutan-2-yloxy)pyridine.

Molecular Properties

Compound Name2-bromo-3-(3-methylbutan-2-yloxy)pyridine
PubChem CID131142867
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-bromo-3-(3-methylbutan-2-yloxy)pyridine
SMILESCC(C)C(C)Oc1cccnc1Br
InChIInChI=1S/C10H14BrNO/c1-7(2)8(3)13-9-5-4-6-12-10(9)11/h4-8H,1-3H3
InChIKeyKIXAEIQFDVEVKP-UHFFFAOYSA-N
XLogP3.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.27
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

2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 10585519
3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane
CID 174191494
2-bromo-3-propan-2-ylpyridine
CID 23436869
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
4-(3-methylbutan-2-yloxy)quinolin-8-amine
CID 83060997
2-bromo-3-but-1-enoxypyridine
CID 141048795
3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
CID 20607341
(1S)-2-[(2-bromo-3-pyridinyl)oxy]-1-(2,6-difluorophenyl)ethanamine
CID 129411190
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-methylbutan-2-yloxy)pyridine?
The IUPAC name of 2-bromo-3-(3-methylbutan-2-yloxy)pyridine (CID 131142867) is 2-bromo-3-(3-methylbutan-2-yloxy)pyridine.
What is the SMILES notation for 2-bromo-3-(3-methylbutan-2-yloxy)pyridine?
The canonical SMILES for 2-bromo-3-(3-methylbutan-2-yloxy)pyridine is CC(C)C(C)Oc1cccnc1Br.
What is the InChIKey of 2-bromo-3-(3-methylbutan-2-yloxy)pyridine?
The InChIKey is KIXAEIQFDVEVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(2)8(3)13-9-5-4-6-12-10(9)11/h4-8H,1-3H3.
What are the key properties of 2-bromo-3-(3-methylbutan-2-yloxy)pyridine?
2-bromo-3-(3-methylbutan-2-yloxy)pyridine has a molecular weight of 244.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-methylbutan-2-yloxy)pyridine is sourced from PubChem (CID 131142867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).