3-bromo-2-N,6-dimethylpyridine-2,5-diamine

C7H10BrN3 — CID 118034753

IUPAC3-bromo-2-N,6-dimethylpyridine-2,5-diamine
SMILESCNc1nc(C)c(N)cc1Br
InChIInChI=1S/C7H10BrN3/c1-4-6(9)3-5(8)7(10-2)11-4/h3H,9H2,1-2H3,(H,10,11)
InChIKeyUUBUIAIOOCKSBM-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.78
Rot. Bonds1

About 3-bromo-2-N,6-dimethylpyridine-2,5-diamine

3-bromo-2-N,6-dimethylpyridine-2,5-diamine (PubChem CID 118034753) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-bromo-2-N,6-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N,6-dimethylpyridine-2,5-diamine
PubChem CID118034753
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name3-bromo-2-N,6-dimethylpyridine-2,5-diamine
SMILESCNc1nc(C)c(N)cc1Br
InChIInChI=1S/C7H10BrN3/c1-4-6(9)3-5(8)7(10-2)11-4/h3H,9H2,1-2H3,(H,10,11)
InChIKeyUUBUIAIOOCKSBM-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N,6-dimethylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N,6-dimethylpyridine-2,5-diamine (CID 118034753) is 3-bromo-2-N,6-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N,6-dimethylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N,6-dimethylpyridine-2,5-diamine is CNc1nc(C)c(N)cc1Br.
What is the InChIKey of 3-bromo-2-N,6-dimethylpyridine-2,5-diamine?
The InChIKey is UUBUIAIOOCKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-4-6(9)3-5(8)7(10-2)11-4/h3H,9H2,1-2H3,(H,10,11).
What are the key properties of 3-bromo-2-N,6-dimethylpyridine-2,5-diamine?
3-bromo-2-N,6-dimethylpyridine-2,5-diamine has a molecular weight of 216.08 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N,6-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 118034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).