N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide

C8H11IN2O — CID 171376007

IUPACN,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide
SMILESC/N=C(\[O-])c1ccc[n+](C)c1.I
InChIInChI=1S/C8H10N2O.HI/c1-9-8(11)7-4-3-5-10(2)6-7;/h3-6H,1-2H3;1H
InChIKeyFDVPPEWHPSYNRO-UHFFFAOYSA-N
MW278.09 g/mol
LogP-0.13
Rot. Bonds1

About N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide

N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide (PubChem CID 171376007) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide.

Molecular Properties

Compound NameN,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide
PubChem CID171376007
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC NameN,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide
SMILESC/N=C(\[O-])c1ccc[n+](C)c1.I
InChIInChI=1S/C8H10N2O.HI/c1-9-8(11)7-4-3-5-10(2)6-7;/h3-6H,1-2H3;1H
InChIKeyFDVPPEWHPSYNRO-UHFFFAOYSA-N
XLogP-0.13
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
CID 54606207
1-(1-methylpyridin-1-ium-3-yl)ethanone perchlorate
CID 44890118
carbanide;1-methylpyridin-1-ium-3-carboxylic acid
CID 167588121
1-methyl-N-oxidopyridin-1-ium-3-carboxamide
CID 51373503
methyl 1-methylpyridin-1-ium-3-carboxylate chloride
CID 3084022
methyl 1-methylpyridin-1-ium-3-carboxylate bromide
CID 117061302
(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
CID 171375297
propan-2-yl 1-methylpyridin-1-ium-3-carboxylate iodide
CID 24844699
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl acetate
CID 138705846
1-methyl-6-oxopyridine-3-carboxylic acid;1-methylpyridin-1-ium-3-carboxylate
CID 162079726
1-methyl-N-[(Z)-[(E)-2-methylpent-2-enylidene]amino]pyridin-1-ium-3-carboxamide
CID 5476388
dihydroxy-methyl-(1-methylpyridin-1-ium-3-yl)-λ4-sulfane
CID 169211106

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide?
The IUPAC name of N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide (CID 171376007) is N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide.
What is the SMILES notation for N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide?
The canonical SMILES for N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide is C/N=C(\[O-])c1ccc[n+](C)c1.I.
What is the InChIKey of N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide?
The InChIKey is FDVPPEWHPSYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.HI/c1-9-8(11)7-4-3-5-10(2)6-7;/h3-6H,1-2H3;1H.
What are the key properties of N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide?
N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide has a molecular weight of 278.09 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide is sourced from PubChem (CID 171376007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).