5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine

C13H14BrN3 — CID 61228858

IUPAC5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(C)c(Nc2ncc(Br)cc2N)c1
InChIInChI=1S/C13H14BrN3/c1-8-3-4-9(2)12(5-8)17-13-11(15)6-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyVQGIPQXOPJCDLJ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine

5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine (PubChem CID 61228858) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
PubChem CID61228858
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
SMILESCc1ccc(C)c(Nc2ncc(Br)cc2N)c1
InChIInChI=1S/C13H14BrN3/c1-8-3-4-9(2)12(5-8)17-13-11(15)6-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyVQGIPQXOPJCDLJ-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66481516
5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
CID 82094933
6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
6-N-(5-bromo-2-pyridinyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23485703
5-bromo-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 53410205
5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 114262574
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine (CID 61228858) is 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine is Cc1ccc(C)c(Nc2ncc(Br)cc2N)c1.
What is the InChIKey of 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine?
The InChIKey is VQGIPQXOPJCDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-3-4-9(2)12(5-8)17-13-11(15)6-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine?
5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine has a molecular weight of 292.18 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 61228858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).