5-bromo-2-(1,4-dioxan-2-yl)pyridine

C9H10BrNO2 — CID 130138724

IUPAC5-bromo-2-(1,4-dioxan-2-yl)pyridine
SMILESBrc1ccc(C2COCCO2)nc1
InChIInChI=1S/C9H10BrNO2/c10-7-1-2-8(11-5-7)9-6-12-3-4-13-9/h1-2,5,9H,3-4,6H2
InChIKeyLNLSQAPFNGVFBD-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.93
Rot. Bonds1

About 5-bromo-2-(1,4-dioxan-2-yl)pyridine

5-bromo-2-(1,4-dioxan-2-yl)pyridine (PubChem CID 130138724) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-2-(1,4-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,4-dioxan-2-yl)pyridine
PubChem CID130138724
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name5-bromo-2-(1,4-dioxan-2-yl)pyridine
SMILESBrc1ccc(C2COCCO2)nc1
InChIInChI=1S/C9H10BrNO2/c10-7-1-2-8(11-5-7)9-6-12-3-4-13-9/h1-2,5,9H,3-4,6H2
InChIKeyLNLSQAPFNGVFBD-UHFFFAOYSA-N
XLogP1.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
2-(1,4-dioxan-2-yl)pyridine;hydrochloride
CID 174921928
2-(5-bromo-2-pyridinyl)-4-methylmorpholine
CID 66509867
2-(1,4-dioxan-2-yl)pyrazine
CID 67225701
3-bromo-5-(1,4-dioxan-2-yl)pyridine
CID 130067630
2-(5-bromo-2-pyridinyl)-1-(1,4-dioxan-2-yl)ethanone
CID 115801104
5-bromo-2-(1,3-dioxol-2-yl)pyridine
CID 141192691
6-(1,4-dioxan-2-yl)pyrimidin-4-amine
CID 172993361
2-(2-bromophenyl)-1,4,7,10-tetraoxacyclododecane
CID 619658
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
CID 146082553
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 161462801
(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)pyridine (CID 130138724) is 5-bromo-2-(1,4-dioxan-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1,4-dioxan-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1,4-dioxan-2-yl)pyridine is Brc1ccc(C2COCCO2)nc1.
What is the InChIKey of 5-bromo-2-(1,4-dioxan-2-yl)pyridine?
The InChIKey is LNLSQAPFNGVFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-1-2-8(11-5-7)9-6-12-3-4-13-9/h1-2,5,9H,3-4,6H2.
What are the key properties of 5-bromo-2-(1,4-dioxan-2-yl)pyridine?
5-bromo-2-(1,4-dioxan-2-yl)pyridine has a molecular weight of 244.09 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,4-dioxan-2-yl)pyridine is sourced from PubChem (CID 130138724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).