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

C11H6Br2Cl2N2 — CID 103583411

IUPAC5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
SMILESClc1ccc(Nc2ncc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C11H6Br2Cl2N2/c12-6-3-9(15)11(16-5-6)17-10-2-1-7(14)4-8(10)13/h1-5H,(H,16,17)
InChIKeyZVBLHHQUWIAPJF-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.66
Rot. Bonds2

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

5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine (PubChem CID 103583411) has the molecular formula C11H6Br2Cl2N2 and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
PubChem CID103583411
Molecular FormulaC11H6Br2Cl2N2
Molecular Weight396.90 g/mol
Exact Mass393.83
IUPAC Name5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
SMILESClc1ccc(Nc2ncc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C11H6Br2Cl2N2/c12-6-3-9(15)11(16-5-6)17-10-2-1-7(14)4-8(10)13/h1-5H,(H,16,17)
InChIKeyZVBLHHQUWIAPJF-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine (CID 103583411) is 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine is Clc1ccc(Nc2ncc(Br)cc2Cl)c(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine?
The InChIKey is ZVBLHHQUWIAPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2Cl2N2/c12-6-3-9(15)11(16-5-6)17-10-2-1-7(14)4-8(10)13/h1-5H,(H,16,17).
What are the key properties of 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine?
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine has a molecular weight of 396.90 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine is sourced from PubChem (CID 103583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).