3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine

C12H9Br2ClN2 — CID 106877332

IUPAC3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cc(Cl)ccc2Br)c1Br
InChIInChI=1S/C12H9Br2ClN2/c1-7-4-5-16-12(11(7)14)17-10-6-8(15)2-3-9(10)13/h2-6H,1H3,(H,16,17)
InChIKeyJFJRPDGOXFXYET-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.31
Rot. Bonds2

About 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine

3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine (PubChem CID 106877332) has the molecular formula C12H9Br2ClN2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
PubChem CID106877332
Molecular FormulaC12H9Br2ClN2
Molecular Weight376.48 g/mol
Exact Mass373.88
IUPAC Name3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cc(Cl)ccc2Br)c1Br
InChIInChI=1S/C12H9Br2ClN2/c1-7-4-5-16-12(11(7)14)17-10-6-8(15)2-3-9(10)13/h2-6H,1H3,(H,16,17)
InChIKeyJFJRPDGOXFXYET-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine (CID 106877332) is 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine is Cc1ccnc(Nc2cc(Cl)ccc2Br)c1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine?
The InChIKey is JFJRPDGOXFXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2/c1-7-4-5-16-12(11(7)14)17-10-6-8(15)2-3-9(10)13/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine?
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine has a molecular weight of 376.48 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106877332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).