N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide

C10H16BrN2O3- — CID 21152720

IUPACN,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide
SMILESCN(C)C(=O)[O-].Cc1ccc(O)c[n+]1C.[Br-]
InChIInChI=1S/C7H9NO.C3H7NO2.BrH/c1-6-3-4-7(9)5-8(6)2;1-4(2)3(5)6;/h3-5H,1-2H3;1-2H3,(H,5,6);1H/p-1
InChIKeyNYOWSJHRBBSJNF-UHFFFAOYSA-M
MW292.15 g/mol
LogP-3.58
Rot. Bonds

About N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide

N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide (PubChem CID 21152720) has the molecular formula C10H16BrN2O3- and a molecular weight of 292.15 g/mol. Its IUPAC name is N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide.

Molecular Properties

Compound NameN,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide
PubChem CID21152720
Molecular FormulaC10H16BrN2O3-
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC NameN,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide
SMILESCN(C)C(=O)[O-].Cc1ccc(O)c[n+]1C.[Br-]
InChIInChI=1S/C7H9NO.C3H7NO2.BrH/c1-6-3-4-7(9)5-8(6)2;1-4(2)3(5)6;/h3-5H,1-2H3;1-2H3,(H,5,6);1H/p-1
InChIKeyNYOWSJHRBBSJNF-UHFFFAOYSA-M
XLogP-3.58
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylcarbamate;1-methyl-6-phenyldiazenylpyridin-1-ium-3-ol;bromide
CID 135856029
N,N-dimethylcarbamate;2-iodo-1-methylpyridin-1-ium-3-ol;hydroiodide
CID 21151622
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
CID 156614162
CID 156614162
S-(dimethylamino) N-[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]carbamothioate
CID 135726998
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
5-methoxy-1,2-dimethylpyridin-1-ium
CID 100989788
1,2-dimethylpyridin-1-ium;2,2,2-trifluoroacetate
CID 67299143
cesium 4-hydroxybenzoate
CID 162003528
N,N-dimethylcarbamate;[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl-trimethylazanium;bromide
CID 23622316
[(E)-(5-hydroxy-1-methylpyridin-1-ium-2-yl)methylideneamino]urea
CID 135727000
dipotassium;4-methylsulfonylphenol;carbonate
CID 139243111

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide?
The IUPAC name of N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide (CID 21152720) is N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide.
What is the SMILES notation for N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide?
The canonical SMILES for N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide is CN(C)C(=O)[O-].Cc1ccc(O)c[n+]1C.[Br-].
What is the InChIKey of N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide?
The InChIKey is NYOWSJHRBBSJNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO.C3H7NO2.BrH/c1-6-3-4-7(9)5-8(6)2;1-4(2)3(5)6;/h3-5H,1-2H3;1-2H3,(H,5,6);1H/p-1.
What are the key properties of N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide?
N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide has a molecular weight of 292.15 g/mol, XLogP of -3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcarbamate;1,6-dimethylpyridin-1-ium-3-ol;bromide is sourced from PubChem (CID 21152720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).