4-(5-iodo-3-methylimidazol-4-yl)pyridine

C9H8IN3 — CID 139378651

IUPAC4-(5-iodo-3-methylimidazol-4-yl)pyridine
SMILESCn1cnc(I)c1-c1ccncc1
InChIInChI=1S/C9H8IN3/c1-13-6-12-9(10)8(13)7-2-4-11-5-3-7/h2-6H,1H3
InChIKeyJSODGPLIWDFTHN-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.09
Rot. Bonds1

About 4-(5-iodo-3-methylimidazol-4-yl)pyridine

4-(5-iodo-3-methylimidazol-4-yl)pyridine (PubChem CID 139378651) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 4-(5-iodo-3-methylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name4-(5-iodo-3-methylimidazol-4-yl)pyridine
PubChem CID139378651
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC Name4-(5-iodo-3-methylimidazol-4-yl)pyridine
SMILESCn1cnc(I)c1-c1ccncc1
InChIInChI=1S/C9H8IN3/c1-13-6-12-9(10)8(13)7-2-4-11-5-3-7/h2-6H,1H3
InChIKeyJSODGPLIWDFTHN-UHFFFAOYSA-N
XLogP2.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-pyridin-4-ylpyridine
CID 142013036
CID 172839062
CID 172839062
1-methyl-6-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 121214917
4-(1-propylimidazol-4-yl)pyridine
CID 173238933
3-methyl-5-(4-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one
CID 142816165
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-iodo-6-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 66341783
2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 149308070
gold;4-pyridin-4-ylpyridine
CID 159917709
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
1-methylbenzimidazole;propane
CID 91130597
2,2-dimethylpropane;1-methylbenzimidazole
CID 167554382

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodo-3-methylimidazol-4-yl)pyridine?
The IUPAC name of 4-(5-iodo-3-methylimidazol-4-yl)pyridine (CID 139378651) is 4-(5-iodo-3-methylimidazol-4-yl)pyridine.
What is the SMILES notation for 4-(5-iodo-3-methylimidazol-4-yl)pyridine?
The canonical SMILES for 4-(5-iodo-3-methylimidazol-4-yl)pyridine is Cn1cnc(I)c1-c1ccncc1.
What is the InChIKey of 4-(5-iodo-3-methylimidazol-4-yl)pyridine?
The InChIKey is JSODGPLIWDFTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3/c1-13-6-12-9(10)8(13)7-2-4-11-5-3-7/h2-6H,1H3.
What are the key properties of 4-(5-iodo-3-methylimidazol-4-yl)pyridine?
4-(5-iodo-3-methylimidazol-4-yl)pyridine has a molecular weight of 285.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-3-methylimidazol-4-yl)pyridine is sourced from PubChem (CID 139378651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).