2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

C13H11BrN4 — CID 114003900

IUPAC2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCc1cnc2nc(-c3ccc(Br)c(N)c3)[nH]c2c1
InChIInChI=1S/C13H11BrN4/c1-7-4-11-13(16-6-7)18-12(17-11)8-2-3-9(14)10(15)5-8/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyYTLBIHWOYZHCCJ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds1

About 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 114003900) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID114003900
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCc1cnc2nc(-c3ccc(Br)c(N)c3)[nH]c2c1
InChIInChI=1S/C13H11BrN4/c1-7-4-11-13(16-6-7)18-12(17-11)8-2-3-9(14)10(15)5-8/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyYTLBIHWOYZHCCJ-UHFFFAOYSA-N
XLogP3.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795619
2-fluoro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795786
N-methyl-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 104698549
6-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 79015212
6-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)quinoline
CID 79791281
2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795462
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795555
2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79791283
4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-5-amine
CID 79796443
6-methyl-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79015085
2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 114560120

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 114003900) is 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is Cc1cnc2nc(-c3ccc(Br)c(N)c3)[nH]c2c1.
What is the InChIKey of 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is YTLBIHWOYZHCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-7-4-11-13(16-6-7)18-12(17-11)8-2-3-9(14)10(15)5-8/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 303.16 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 114003900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).