3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine

C11H16BrNO — CID 104809934

IUPAC3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
SMILESCC(C)C(C)OCc1cncc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)9(3)14-7-10-4-11(12)6-13-5-10/h4-6,8-9H,7H2,1-3H3
InChIKeyUWNMFYIWSVTEIU-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.41
Rot. Bonds4

About 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine

3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine (PubChem CID 104809934) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
PubChem CID104809934
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
SMILESCC(C)C(C)OCc1cncc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)9(3)14-7-10-4-11(12)6-13-5-10/h4-6,8-9H,7H2,1-3H3
InChIKeyUWNMFYIWSVTEIU-UHFFFAOYSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
CID 104809944
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
CID 116721000
3-bromo-5-(butoxymethyl)pyridine
CID 104809821
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
1-(5-bromo-3-pyridinyl)-3-hydroxy-4-methylpentan-2-one
CID 103455295
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
3-bromo-5-[2-[2-[(2R)-2-phenylmethoxypropoxy]ethoxy]ethyl]pyridine
CID 165127705
3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
CID 177207439
N-[(5-bromo-3-pyridinyl)methyl]-N-ethylsulfanylpropan-2-amine
CID 146229382
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine?
The IUPAC name of 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine (CID 104809934) is 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine?
The canonical SMILES for 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine is CC(C)C(C)OCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine?
The InChIKey is UWNMFYIWSVTEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)9(3)14-7-10-4-11(12)6-13-5-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine?
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine has a molecular weight of 258.16 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine is sourced from PubChem (CID 104809934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).