bromic acid;3-(bromomethyl)-5-methylpyridine

C7H9Br2NO3 — CID 159195329

IUPACbromic acid;3-(bromomethyl)-5-methylpyridine
SMILESCc1cncc(CBr)c1.[O-][Br+2]([O-])O
InChIInChI=1S/C7H8BrN.BrHO3/c1-6-2-7(3-8)5-9-4-6;2-1(3)4/h2,4-5H,3H2,1H3;2H
InChIKeyKOOXOSDJIHOSIQ-UHFFFAOYSA-N
MW314.96 g/mol
LogP-0.65
Rot. Bonds1

About bromic acid;3-(bromomethyl)-5-methylpyridine

bromic acid;3-(bromomethyl)-5-methylpyridine (PubChem CID 159195329) has the molecular formula C7H9Br2NO3 and a molecular weight of 314.96 g/mol. Its IUPAC name is bromic acid;3-(bromomethyl)-5-methylpyridine.

Molecular Properties

Compound Namebromic acid;3-(bromomethyl)-5-methylpyridine
PubChem CID159195329
Molecular FormulaC7H9Br2NO3
Molecular Weight314.96 g/mol
Exact Mass312.89
IUPAC Namebromic acid;3-(bromomethyl)-5-methylpyridine
SMILESCc1cncc(CBr)c1.[O-][Br+2]([O-])O
InChIInChI=1S/C7H8BrN.BrHO3/c1-6-2-7(3-8)5-9-4-6;2-1(3)4/h2,4-5H,3H2,1H3;2H
InChIKeyKOOXOSDJIHOSIQ-UHFFFAOYSA-N
XLogP-0.65
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.96
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-methylpropyl)-5-methylpyridine
CID 115375378
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
2-[(5-methyl-3-pyridinyl)methyl]guanidine
CID 130772692
3-[(5-methyl-3-pyridinyl)methyl]pentan-2-ol
CID 102878483
2-[(5-methyl-3-pyridinyl)methyl]cyclopentan-1-ol
CID 102878479
CID 174996178
CID 174996178
3-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]-5-methylpyridine
CID 102881723
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
methyl 2-bromo-3-(5-methyl-3-pyridinyl)propanoate
CID 107586803
1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339

Frequently Asked Questions

What is the IUPAC name of bromic acid;3-(bromomethyl)-5-methylpyridine?
The IUPAC name of bromic acid;3-(bromomethyl)-5-methylpyridine (CID 159195329) is bromic acid;3-(bromomethyl)-5-methylpyridine.
What is the SMILES notation for bromic acid;3-(bromomethyl)-5-methylpyridine?
The canonical SMILES for bromic acid;3-(bromomethyl)-5-methylpyridine is Cc1cncc(CBr)c1.[O-][Br+2]([O-])O.
What is the InChIKey of bromic acid;3-(bromomethyl)-5-methylpyridine?
The InChIKey is KOOXOSDJIHOSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.BrHO3/c1-6-2-7(3-8)5-9-4-6;2-1(3)4/h2,4-5H,3H2,1H3;2H.
What are the key properties of bromic acid;3-(bromomethyl)-5-methylpyridine?
bromic acid;3-(bromomethyl)-5-methylpyridine has a molecular weight of 314.96 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromic acid;3-(bromomethyl)-5-methylpyridine is sourced from PubChem (CID 159195329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).