bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide

C14H16Cl2I2N4 — CID 173104208

IUPACbis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
SMILESC/N=C(\Cl)c1cccnc1.C/N=C(\Cl)c1cccnc1.I.I
InChIInChI=1S/2C7H7ClN2.2HI/c2*1-9-7(8)6-3-2-4-10-5-6;;/h2*2-5H,1H3;2*1H/b2*9-7-;;
InChIKeyHAVNJQGPEJGDTK-XXFXNGOISA-N
MW565.02 g/mol
LogP4.63
Rot. Bonds2

About bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide

bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide (PubChem CID 173104208) has the molecular formula C14H16Cl2I2N4 and a molecular weight of 565.02 g/mol. Its IUPAC name is bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide.

Molecular Properties

Compound Namebis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
PubChem CID173104208
Molecular FormulaC14H16Cl2I2N4
Molecular Weight565.02 g/mol
Exact Mass563.88
IUPAC Namebis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
SMILESC/N=C(\Cl)c1cccnc1.C/N=C(\Cl)c1cccnc1.I.I
InChIInChI=1S/2C7H7ClN2.2HI/c2*1-9-7(8)6-3-2-4-10-5-6;;/h2*2-5H,1H3;2*1H/b2*9-7-;;
InChIKeyHAVNJQGPEJGDTK-XXFXNGOISA-N
XLogP4.63
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.02
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
1-pyridin-3-ylethanethione
CID 11815891
(Z)-5-methylimino-5-pyridin-3-ylpent-3-en-2-one
CID 129058833
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
3-chloropyridine;hydroiodide
CID 173140425
[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium
CID 10059764
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
(2E)-2-hydroxyimino-1-pyridin-3-ylethanone;hydroiodide
CID 173406297
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132

Frequently Asked Questions

What is the IUPAC name of bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide?
The IUPAC name of bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide (CID 173104208) is bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide.
What is the SMILES notation for bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide?
The canonical SMILES for bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide is C/N=C(\Cl)c1cccnc1.C/N=C(\Cl)c1cccnc1.I.I.
What is the InChIKey of bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide?
The InChIKey is HAVNJQGPEJGDTK-XXFXNGOISA-N. The full InChI is InChI=1S/2C7H7ClN2.2HI/c2*1-9-7(8)6-3-2-4-10-5-6;;/h2*2-5H,1H3;2*1H/b2*9-7-;;.
What are the key properties of bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide?
bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide has a molecular weight of 565.02 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide is sourced from PubChem (CID 173104208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).