Pyridostigmine Bromide

C9H13BrN2O2 — CID 7550

IUPAC(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
SMILESC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]
InChIInChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKeyVNYBTNPBYXSMOO-UHFFFAOYSA-M
MW261.12 g/mol
LogP—
Rot. Bonds2

About Pyridostigmine Bromide

Pyridostigmine Bromide (PubChem CID 7550) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide.

Molecular Properties

Compound NamePyridostigmine Bromide
PubChem CID7550
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
SMILESC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]
InChIInChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKeyVNYBTNPBYXSMOO-UHFFFAOYSA-M
XLogP—
TPSA33.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity182

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Pyridostigmine
CID 4991
Distigmine
CID 3116
Distigmine Bromide
CID 27522
3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
Norpyridostigmine
CID 98821
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
3-Phenoxypyridine
CID 200510
2-Bromo-3-methoxypyridine
CID 90364

Frequently Asked Questions

What is the IUPAC name of Pyridostigmine Bromide?
The IUPAC name of Pyridostigmine Bromide (CID 7550) is (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide.
What is the SMILES notation for Pyridostigmine Bromide?
The canonical SMILES for Pyridostigmine Bromide is C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-].
What is the InChIKey of Pyridostigmine Bromide?
The InChIKey is VNYBTNPBYXSMOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1.
What are the key properties of Pyridostigmine Bromide?
Pyridostigmine Bromide has a molecular weight of 261.12 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Pyridostigmine Bromide is sourced from PubChem (CID 7550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).