6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine

C13H14BrN3 — CID 107580588

IUPAC6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
SMILESCc1cc(Nc2cccc(N)n2)cc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-8-6-10(7-9(2)13(8)14)16-12-5-3-4-11(15)17-12/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyKUZJFHPYBXPABY-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.79
Rot. Bonds2

About 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine

6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine (PubChem CID 107580588) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
PubChem CID107580588
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
SMILESCc1cc(Nc2cccc(N)n2)cc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-8-6-10(7-9(2)13(8)14)16-12-5-3-4-11(15)17-12/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyKUZJFHPYBXPABY-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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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine (CID 107580588) is 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine is Cc1cc(Nc2cccc(N)n2)cc(C)c1Br.
What is the InChIKey of 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine?
The InChIKey is KUZJFHPYBXPABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-6-10(7-9(2)13(8)14)16-12-5-3-4-11(15)17-12/h3-7H,1-2H3,(H3,15,16,17).
What are the key properties of 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine?
6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-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 6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 107580588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).