Pyridostigmine chloride

C9H13ClN2O2 — CID 202190

IUPAC(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate chloride
SMILESC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Cl-]
InChIInChI=1S/C9H13N2O2.ClH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKeyTYXYRYORUZYJDX-UHFFFAOYSA-M
MW216.66 g/mol
LogP—
Rot. Bonds2

About Pyridostigmine chloride

Pyridostigmine chloride (PubChem CID 202190) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.66 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate chloride.

Molecular Properties

Compound NamePyridostigmine chloride
PubChem CID202190
Molecular FormulaC9H13ClN2O2
Molecular Weight216.66 g/mol
Exact Mass216.07
IUPAC Name(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate chloride
SMILESC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Cl-]
InChIInChI=1S/C9H13N2O2.ClH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKeyTYXYRYORUZYJDX-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 ≤ 500216.66
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 Bromide
CID 7550
Pyridostigmine
CID 4991
Distigmine
CID 3116
Distigmine Bromide
CID 27522
3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
Norpyridostigmine
CID 98821
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
Benzpyrinium Bromide
CID 11481

Frequently Asked Questions

What is the IUPAC name of Pyridostigmine chloride?
The IUPAC name of Pyridostigmine chloride (CID 202190) is (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate chloride.
What is the SMILES notation for Pyridostigmine chloride?
The canonical SMILES for Pyridostigmine chloride is C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Cl-].
What is the InChIKey of Pyridostigmine chloride?
The InChIKey is TYXYRYORUZYJDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13N2O2.ClH/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 chloride?
Pyridostigmine chloride has a molecular weight of 216.66 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 chloride is sourced from PubChem (CID 202190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).