2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine

C12H10IN5 — CID 79821967

IUPAC2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3cc(I)ccc3N)nc2n1
InChIInChI=1S/C12H10IN5/c13-6-1-2-8(14)7(5-6)11-16-9-3-4-10(15)17-12(9)18-11/h1-5H,14H2,(H3,15,16,17,18)
InChIKeyGDIBVIUGTXQPPH-UHFFFAOYSA-N
MW351.15 g/mol
LogP2.39
Rot. Bonds1

About 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821967) has the molecular formula C12H10IN5 and a molecular weight of 351.15 g/mol. Its IUPAC name is 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821967
Molecular FormulaC12H10IN5
Molecular Weight351.15 g/mol
Exact Mass351.00
IUPAC Name2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3cc(I)ccc3N)nc2n1
InChIInChI=1S/C12H10IN5/c13-6-1-2-8(14)7(5-6)11-16-9-3-4-10(15)17-12(9)18-11/h1-5H,14H2,(H3,15,16,17,18)
InChIKeyGDIBVIUGTXQPPH-UHFFFAOYSA-N
XLogP2.39
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821967) is 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(-c3cc(I)ccc3N)nc2n1.
What is the InChIKey of 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GDIBVIUGTXQPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN5/c13-6-1-2-8(14)7(5-6)11-16-9-3-4-10(15)17-12(9)18-11/h1-5H,14H2,(H3,15,16,17,18).
What are the key properties of 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 351.15 g/mol, XLogP of 2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).