6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

C13H11IN4 — CID 138522273

IUPAC6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(I)cc2n1Cc1ccccn1
InChIInChI=1S/C13H11IN4/c1-9-17-13-12(6-10(14)7-16-13)18(9)8-11-4-2-3-5-15-11/h2-7H,8H2,1H3
InChIKeyRHEXQOGXLIEOIU-UHFFFAOYSA-N
MW350.16 g/mol
LogP2.79
Rot. Bonds2

About 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 138522273) has the molecular formula C13H11IN4 and a molecular weight of 350.16 g/mol. Its IUPAC name is 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID138522273
Molecular FormulaC13H11IN4
Molecular Weight350.16 g/mol
Exact Mass350.00
IUPAC Name6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(I)cc2n1Cc1ccccn1
InChIInChI=1S/C13H11IN4/c1-9-17-13-12(6-10(14)7-16-13)18(9)8-11-4-2-3-5-15-11/h2-7H,8H2,1H3
InChIKeyRHEXQOGXLIEOIU-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 138522273) is 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is Cc1nc2ncc(I)cc2n1Cc1ccccn1.
What is the InChIKey of 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is RHEXQOGXLIEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4/c1-9-17-13-12(6-10(14)7-16-13)18(9)8-11-4-2-3-5-15-11/h2-7H,8H2,1H3.
What are the key properties of 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 350.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 138522273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).