3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine

C11H16BrNO — CID 71485160

IUPAC3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine
SMILESCOCCCc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C11H16BrNO/c1-8-7-10(5-4-6-14-3)13-9(2)11(8)12/h7H,4-6H2,1-3H3
InChIKeyMWXMWRJTHOOXGA-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.04
Rot. Bonds4

About 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine

3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine (PubChem CID 71485160) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine
PubChem CID71485160
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine
SMILESCOCCCc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C11H16BrNO/c1-8-7-10(5-4-6-14-3)13-9(2)11(8)12/h7H,4-6H2,1-3H3
InChIKeyMWXMWRJTHOOXGA-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(3-methoxypropyl)-3,7-dimethyl-1,2-dihydroimidazo[4,5-b]pyridine
CID 143720596
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
3-bromo-2,4,6-trimethylpyridine;hydrochloride
CID 122360781
(5-bromo-6-methoxy-4-methyl-2-pyridinyl)methanamine
CID 178084795
1,3-dibromo-2-(3-methoxypropyl)benzene
CID 163724839
6-(3-methoxypropyl)pyrimidin-4-amine
CID 158731917
5-bromo-4-chloro-2-(3-methoxypropyl)-6-propan-2-ylpyrimidine
CID 66292799
5-chloro-2-(3-methoxypropyl)-4-propan-2-ylpyridine
CID 59509254
5-bromo-3-(2-methoxyethyl)-1H-pyridazin-6-one
CID 117104984
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
CID 82946781
2-bromo-5-(3-methoxypropyl)-1,3-thiazole
CID 134456698
2-(5-methoxypentyl)-1,3,5-trimethylbenzene
CID 143283296

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine?
The IUPAC name of 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine (CID 71485160) is 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine.
What is the SMILES notation for 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine?
The canonical SMILES for 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine is COCCCc1cc(C)c(Br)c(C)n1.
What is the InChIKey of 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine?
The InChIKey is MWXMWRJTHOOXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-7-10(5-4-6-14-3)13-9(2)11(8)12/h7H,4-6H2,1-3H3.
What are the key properties of 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine?
3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine has a molecular weight of 258.16 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(3-methoxypropyl)-2,4-dimethylpyridine is sourced from PubChem (CID 71485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).