6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine

C12H11Br2N3 — CID 80801057

IUPAC6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H11Br2N3/c1-15-11-3-2-4-12(17-11)16-10-6-5-8(13)7-9(10)14/h2-7H,1H3,(H2,15,16,17)
InChIKeyURKXJBSFTNLJKX-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.39
Rot. Bonds3

About 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine

6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 80801057) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
PubChem CID80801057
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC Name6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H11Br2N3/c1-15-11-3-2-4-12(17-11)16-10-6-5-8(13)7-9(10)14/h2-7H,1H3,(H2,15,16,17)
InChIKeyURKXJBSFTNLJKX-UHFFFAOYSA-N
XLogP4.39
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine (CID 80801057) is 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine is CNc1cccc(Nc2ccc(Br)cc2Br)n1.
What is the InChIKey of 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is URKXJBSFTNLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c1-15-11-3-2-4-12(17-11)16-10-6-5-8(13)7-9(10)14/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine?
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 357.05 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80801057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).