5-methylpyridine-2-carboximidoyl iodide

C7H7IN2 — CID 177223658

IUPAC5-methylpyridine-2-carboximidoyl iodide
SMILES[H]/N=C(\I)c1ccc(C)cn1
InChIInChI=1S/C7H7IN2/c1-5-2-3-6(7(8)9)10-4-5/h2-4,9H,1H3/b9-7-
InChIKeyOCZUECGRTCUUGZ-CLFYSBASSA-N
MW246.05 g/mol
LogP2.15
Rot. Bonds1

About 5-methylpyridine-2-carboximidoyl iodide

5-methylpyridine-2-carboximidoyl iodide (PubChem CID 177223658) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 5-methylpyridine-2-carboximidoyl iodide.

Molecular Properties

Compound Name5-methylpyridine-2-carboximidoyl iodide
PubChem CID177223658
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name5-methylpyridine-2-carboximidoyl iodide
SMILES[H]/N=C(\I)c1ccc(C)cn1
InChIInChI=1S/C7H7IN2/c1-5-2-3-6(7(8)9)10-4-5/h2-4,9H,1H3/b9-7-
InChIKeyOCZUECGRTCUUGZ-CLFYSBASSA-N
XLogP2.15
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-imino-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 166120557
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
CID 123351090
sodium 5-methylpyridine-2-carboxylate
CID 23707755
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
N'-amino-5-methylpyridine-2-carboximidamide
CID 81312548
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine
CID 144956619
ethane;(Z)-2-hydrazinyl-2-(5-methyl-2-pyridinyl)ethenamine
CID 171527313
2-(3-ethoxybuta-1,3-dien-2-yl)-5-methylpyridine
CID 166966032

Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-2-carboximidoyl iodide?
The IUPAC name of 5-methylpyridine-2-carboximidoyl iodide (CID 177223658) is 5-methylpyridine-2-carboximidoyl iodide.
What is the SMILES notation for 5-methylpyridine-2-carboximidoyl iodide?
The canonical SMILES for 5-methylpyridine-2-carboximidoyl iodide is [H]/N=C(\I)c1ccc(C)cn1.
What is the InChIKey of 5-methylpyridine-2-carboximidoyl iodide?
The InChIKey is OCZUECGRTCUUGZ-CLFYSBASSA-N. The full InChI is InChI=1S/C7H7IN2/c1-5-2-3-6(7(8)9)10-4-5/h2-4,9H,1H3/b9-7-.
What are the key properties of 5-methylpyridine-2-carboximidoyl iodide?
5-methylpyridine-2-carboximidoyl iodide has a molecular weight of 246.05 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-2-carboximidoyl iodide is sourced from PubChem (CID 177223658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).