4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane

C12H17BrN2O — CID 105367904

IUPAC4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
SMILESCc1cnc(N2CCCOC(C)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-11(13)12(14-7-9)15-4-3-5-16-10(2)8-15/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHDPJOYBJALQWKZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.77
Rot. Bonds1

About 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane

4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane (PubChem CID 105367904) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
PubChem CID105367904
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
SMILESCc1cnc(N2CCCOC(C)C2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9-6-11(13)12(14-7-9)15-4-3-5-16-10(2)8-15/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHDPJOYBJALQWKZ-UHFFFAOYSA-N
XLogP2.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-1,4-oxazepane
CID 79072899
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
4-(5-bromo-3-nitro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 55140574
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
CID 105366531
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane?
The IUPAC name of 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane (CID 105367904) is 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane.
What is the SMILES notation for 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane?
The canonical SMILES for 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane is Cc1cnc(N2CCCOC(C)C2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane?
The InChIKey is HDPJOYBJALQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-6-11(13)12(14-7-9)15-4-3-5-16-10(2)8-15/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane?
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane has a molecular weight of 285.19 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane is sourced from PubChem (CID 105367904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).