2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine

C13H12BrN5 — CID 70689444

IUPAC2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3cccc(N)c3)[nH]c12
InChIInChI=1S/C13H12BrN5/c1-16-10-9(14)6-17-13-11(10)18-12(19-13)7-3-2-4-8(15)5-7/h2-6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyJOPQBRQUFRAGQH-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.01
Rot. Bonds2

About 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine

2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70689444) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70689444
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3cccc(N)c3)[nH]c12
InChIInChI=1S/C13H12BrN5/c1-16-10-9(14)6-17-13-11(10)18-12(19-13)7-3-2-4-8(15)5-7/h2-6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyJOPQBRQUFRAGQH-UHFFFAOYSA-N
XLogP3.01
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (CID 70689444) is 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3cccc(N)c3)[nH]c12.
What is the InChIKey of 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is JOPQBRQUFRAGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-16-10-9(14)6-17-13-11(10)18-12(19-13)7-3-2-4-8(15)5-7/h2-6H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 318.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70689444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).