3-(4-bromo-2-pyridinyl)-1,3-oxazinane

C9H11BrN2O — CID 146474477

IUPAC3-(4-bromo-2-pyridinyl)-1,3-oxazinane
SMILESBrc1ccnc(N2CCCOC2)c1
InChIInChI=1S/C9H11BrN2O/c10-8-2-3-11-9(6-8)12-4-1-5-13-7-12/h2-3,6H,1,4-5,7H2
InChIKeyUVUCAAOGJYJMKE-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.03
Rot. Bonds1

About 3-(4-bromo-2-pyridinyl)-1,3-oxazinane

3-(4-bromo-2-pyridinyl)-1,3-oxazinane (PubChem CID 146474477) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-(4-bromo-2-pyridinyl)-1,3-oxazinane.

Molecular Properties

Compound Name3-(4-bromo-2-pyridinyl)-1,3-oxazinane
PubChem CID146474477
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3-(4-bromo-2-pyridinyl)-1,3-oxazinane
SMILESBrc1ccnc(N2CCCOC2)c1
InChIInChI=1S/C9H11BrN2O/c10-8-2-3-11-9(6-8)12-4-1-5-13-7-12/h2-3,6H,1,4-5,7H2
InChIKeyUVUCAAOGJYJMKE-UHFFFAOYSA-N
XLogP2.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
CID 151111745
2-[4-(4-bromo-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 118140352
4-bromo-2-(3-methylazetidin-1-yl)pyridine
CID 102820786
1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane
CID 146451944
4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine
CID 146142672
2-(4-bromo-2-pyridinyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
CID 146149008
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
2-(4-bromo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102820745
5-bromo-2-(1,4-oxazepan-4-yl)aniline
CID 62988135

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-pyridinyl)-1,3-oxazinane?
The IUPAC name of 3-(4-bromo-2-pyridinyl)-1,3-oxazinane (CID 146474477) is 3-(4-bromo-2-pyridinyl)-1,3-oxazinane.
What is the SMILES notation for 3-(4-bromo-2-pyridinyl)-1,3-oxazinane?
The canonical SMILES for 3-(4-bromo-2-pyridinyl)-1,3-oxazinane is Brc1ccnc(N2CCCOC2)c1.
What is the InChIKey of 3-(4-bromo-2-pyridinyl)-1,3-oxazinane?
The InChIKey is UVUCAAOGJYJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-2-3-11-9(6-8)12-4-1-5-13-7-12/h2-3,6H,1,4-5,7H2.
What are the key properties of 3-(4-bromo-2-pyridinyl)-1,3-oxazinane?
3-(4-bromo-2-pyridinyl)-1,3-oxazinane has a molecular weight of 243.10 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-pyridinyl)-1,3-oxazinane is sourced from PubChem (CID 146474477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).