3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine

C12H10Br3N3 — CID 113420421

IUPAC3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2cc(Br)ccc2Br)c1Br
InChIInChI=1S/C12H10Br3N3/c1-6-9(16)5-17-12(11(6)15)18-10-4-7(13)2-3-8(10)14/h2-5H,16H2,1H3,(H,17,18)
InChIKeyWECJRXJYWCEOOD-UHFFFAOYSA-N
MW435.95 g/mol
LogP5.00
Rot. Bonds2

About 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 113420421) has the molecular formula C12H10Br3N3 and a molecular weight of 435.95 g/mol. Its IUPAC name is 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine
PubChem CID113420421
Molecular FormulaC12H10Br3N3
Molecular Weight435.95 g/mol
Exact Mass432.84
IUPAC Name3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2cc(Br)ccc2Br)c1Br
InChIInChI=1S/C12H10Br3N3/c1-6-9(16)5-17-12(11(6)15)18-10-4-7(13)2-3-8(10)14/h2-5H,16H2,1H3,(H,17,18)
InChIKeyWECJRXJYWCEOOD-UHFFFAOYSA-N
XLogP5.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.95
LogP ≤ 55.00
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-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine (CID 113420421) is 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(Nc2cc(Br)ccc2Br)c1Br.
What is the InChIKey of 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is WECJRXJYWCEOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3N3/c1-6-9(16)5-17-12(11(6)15)18-10-4-7(13)2-3-8(10)14/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 435.95 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2,5-dibromophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 113420421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).