3-iodoimidazo[4,5-b]pyridine

C6H4IN3 — CID 129018665

IUPAC3-iodoimidazo[4,5-b]pyridine
SMILESIn1cnc2cccnc21
InChIInChI=1S/C6H4IN3/c7-10-4-9-5-2-1-3-8-6(5)10/h1-4H
InChIKeyUTJALWDRGRXTHQ-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.63
Rot. Bonds

About 3-iodoimidazo[4,5-b]pyridine

3-iodoimidazo[4,5-b]pyridine (PubChem CID 129018665) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 3-iodoimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-iodoimidazo[4,5-b]pyridine
PubChem CID129018665
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name3-iodoimidazo[4,5-b]pyridine
SMILESIn1cnc2cccnc21
InChIInChI=1S/C6H4IN3/c7-10-4-9-5-2-1-3-8-6(5)10/h1-4H
InChIKeyUTJALWDRGRXTHQ-UHFFFAOYSA-N
XLogP1.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.63
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

imidazo[4,5-b]pyridin-3-amine
CID 69402235
imidazo[4,5-b]pyridine-3-carbaldehyde
CID 67670304
3-benzylimidazo[4,5-b]pyridine
CID 11009167
1-iodopyrrolo[3,2-b]pyridine
CID 70894838
9-iodopurine
CID 70189684
3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 141330064
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180386
3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 20727882
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 117166301
3-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 117166289
iridium(3+);1,5-naphthyridine
CID 175728214
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850

Frequently Asked Questions

What is the IUPAC name of 3-iodoimidazo[4,5-b]pyridine?
The IUPAC name of 3-iodoimidazo[4,5-b]pyridine (CID 129018665) is 3-iodoimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-iodoimidazo[4,5-b]pyridine?
The canonical SMILES for 3-iodoimidazo[4,5-b]pyridine is In1cnc2cccnc21.
What is the InChIKey of 3-iodoimidazo[4,5-b]pyridine?
The InChIKey is UTJALWDRGRXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-10-4-9-5-2-1-3-8-6(5)10/h1-4H.
What are the key properties of 3-iodoimidazo[4,5-b]pyridine?
3-iodoimidazo[4,5-b]pyridine has a molecular weight of 245.02 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoimidazo[4,5-b]pyridine is sourced from PubChem (CID 129018665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).