2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine

C11H16BrNO2 — CID 102975066

IUPAC2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
SMILESCOC(C)(C)CCOc1cccnc1Br
InChIInChI=1S/C11H16BrNO2/c1-11(2,14-3)6-8-15-9-5-4-7-13-10(9)12/h4-5,7H,6,8H2,1-3H3
InChIKeyMMFVJZPAFJMQIU-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.04
Rot. Bonds5

About 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine

2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine (PubChem CID 102975066) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine.

Molecular Properties

Compound Name2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
PubChem CID102975066
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
SMILESCOC(C)(C)CCOc1cccnc1Br
InChIInChI=1S/C11H16BrNO2/c1-11(2,14-3)6-8-15-9-5-4-7-13-10(9)12/h4-5,7H,6,8H2,1-3H3
InChIKeyMMFVJZPAFJMQIU-UHFFFAOYSA-N
XLogP3.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.04
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-(3-methoxy-3-methylbutoxy)benzonitrile
CID 106665631
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
2-bromo-3-(3-methylsulfonylpropoxy)pyridine
CID 63239076
3-(3-methoxy-3-methylbutoxy)pyridine
CID 103037636
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
2-bromo-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 10585519
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 106665907
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine?
The IUPAC name of 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine (CID 102975066) is 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine.
What is the SMILES notation for 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine?
The canonical SMILES for 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine is COC(C)(C)CCOc1cccnc1Br.
What is the InChIKey of 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine?
The InChIKey is MMFVJZPAFJMQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-11(2,14-3)6-8-15-9-5-4-7-13-10(9)12/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine?
2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine has a molecular weight of 274.16 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine is sourced from PubChem (CID 102975066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).