3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine

C13H11IN4 — CID 79300966

IUPAC3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1ccc(I)cc1
InChIInChI=1S/C13H11IN4/c1-8-6-11-12(16-7-8)18(13(15)17-11)10-4-2-9(14)3-5-10/h2-7H,1H3,(H2,15,17)
InChIKeyBAOTUVHLGLOCCP-UHFFFAOYSA-N
MW350.16 g/mol
LogP2.92
Rot. Bonds1

About 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine

3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79300966) has the molecular formula C13H11IN4 and a molecular weight of 350.16 g/mol. Its IUPAC name is 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79300966
Molecular FormulaC13H11IN4
Molecular Weight350.16 g/mol
Exact Mass350.00
IUPAC Name3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1ccc(I)cc1
InChIInChI=1S/C13H11IN4/c1-8-6-11-12(16-7-8)18(13(15)17-11)10-4-2-9(14)3-5-10/h2-7H,1H3,(H2,15,17)
InChIKeyBAOTUVHLGLOCCP-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301752
2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300786
3-(3-bromo-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301195
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79277756
3-(3-bromo-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104779962
3-(2,5-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301322
3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104727548
6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645385
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
6-bromo-3-(4-ethylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306193
6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79280401

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79300966) is 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2-c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is BAOTUVHLGLOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4/c1-8-6-11-12(16-7-8)18(13(15)17-11)10-4-2-9(14)3-5-10/h2-7H,1H3,(H2,15,17).
What are the key properties of 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 350.16 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79300966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).