1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide

C13H17I2N5 — CID 71396424

IUPAC1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide
SMILESC[n+]1cccc(/N=C(\N)Nc2ccc[n+](C)c2)c1.[I-].[I-]
InChIInChI=1S/C13H17N5.2HI/c1-17-7-3-5-11(9-17)15-13(14)16-12-6-4-8-18(2)10-12;;/h3-10H,1-2H3,(H3,14,15,16);2*1H/q+2;;/p-2
InChIKeyZUTNFSYNUAHDCF-UHFFFAOYSA-L
MW497.12 g/mol
LogP-5.60
Rot. Bonds2

About 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide

1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide (PubChem CID 71396424) has the molecular formula C13H17I2N5 and a molecular weight of 497.12 g/mol. Its IUPAC name is 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide.

Molecular Properties

Compound Name1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide
PubChem CID71396424
Molecular FormulaC13H17I2N5
Molecular Weight497.12 g/mol
Exact Mass496.96
IUPAC Name1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide
SMILESC[n+]1cccc(/N=C(\N)Nc2ccc[n+](C)c2)c1.[I-].[I-]
InChIInChI=1S/C13H17N5.2HI/c1-17-7-3-5-11(9-17)15-13(14)16-12-6-4-8-18(2)10-12;;/h3-10H,1-2H3,(H3,14,15,16);2*1H/q+2;;/p-2
InChIKeyZUTNFSYNUAHDCF-UHFFFAOYSA-L
XLogP-5.60
TPSA58.17 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.12
LogP ≤ 5-5.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide 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

N-(1-methylpyridin-1-ium-3-yl)benzenecarbothioamide
CID 3700121
N,1-dimethylpyridin-1-ium-3-amine iodide
CID 44887181
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
1-(1-methylpyridin-1-ium-3-yl)-3-pyridin-4-ylurea iodide
CID 71396557
4-[(1-methylpyridin-1-ium-3-yl)diazenyl]-N-phenylaniline
CID 18720656
N-(1-methylpyridin-1-ium-3-yl)formamide iodide
CID 87858375
1,2-bis(3-bromophenyl)guanidine
CID 46189840
4-N-[4-[[(E)-(carbamimidoylhydrazinylidene)methyl]amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 135959446
2-N,7-N-bis(1-methylpyridin-1-ium-3-yl)-1,8-naphthyridine-2,7-dicarboxamide
CID 56957499
(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
CID 54606207
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-[[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]carbamoyl]phenyl]benzamide diiodide
CID 24844585
acetonitrile;3,4,5-trimethoxy-N-(1-methylpyridin-1-ium-3-yl)benzamide;iodide
CID 139171955

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide?
The IUPAC name of 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide (CID 71396424) is 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide.
What is the SMILES notation for 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide?
The canonical SMILES for 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide is C[n+]1cccc(/N=C(\N)Nc2ccc[n+](C)c2)c1.[I-].[I-].
What is the InChIKey of 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide?
The InChIKey is ZUTNFSYNUAHDCF-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H17N5.2HI/c1-17-7-3-5-11(9-17)15-13(14)16-12-6-4-8-18(2)10-12;;/h3-10H,1-2H3,(H3,14,15,16);2*1H/q+2;;/p-2.
What are the key properties of 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide?
1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide has a molecular weight of 497.12 g/mol, XLogP of -5.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-methylpyridin-1-ium-3-yl)guanidine diiodide is sourced from PubChem (CID 71396424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).