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

C13H12BrN5 — CID 79822088

IUPAC2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3cc(Br)ccc3N)nc2n1
InChIInChI=1S/C13H12BrN5/c1-16-11-5-4-10-13(18-11)19-12(17-10)8-6-7(14)2-3-9(8)15/h2-6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyQBOOYYKMXLVRMI-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.01
Rot. Bonds2

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

2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79822088) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79822088
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3cc(Br)ccc3N)nc2n1
InChIInChI=1S/C13H12BrN5/c1-16-11-5-4-10-13(18-11)19-12(17-10)8-6-7(14)2-3-9(8)15/h2-6H,15H2,1H3,(H2,16,17,18,19)
InChIKeyQBOOYYKMXLVRMI-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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Related Compounds

Meridianin C
CID 10017019
2-(2-Bromophenyl)-1H-benzimidazole
CID 97511
2-(3-Bromophenyl)benzimidazole
CID 278822
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CID 5328385
N-(3-bromophenyl)-5-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5328386
N-(3-bromophenyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 5328392
4-N-(3-bromophenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
CID 5328396
6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538777
3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenyl-pyrrol-2-amine
CID 71455978
N-(4-ethylphenyl)-9H-purin-6-amine
CID 2155026
N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 929778
N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine
CID 1979800

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79822088) is 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3cc(Br)ccc3N)nc2n1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is QBOOYYKMXLVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-16-11-5-4-10-13(18-11)19-12(17-10)8-6-7(14)2-3-9(8)15/h2-6H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-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-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79822088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).