3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine

C11H7Br2ClN2 — CID 103481300

IUPAC3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
SMILESClc1cccc(Nc2ncccc2Br)c1Br
InChIInChI=1S/C11H7Br2ClN2/c12-7-3-2-6-15-11(7)16-9-5-1-4-8(14)10(9)13/h1-6H,(H,15,16)
InChIKeyGVIHPYVGFRHTJL-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.00
Rot. Bonds2

About 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine

3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine (PubChem CID 103481300) has the molecular formula C11H7Br2ClN2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
PubChem CID103481300
Molecular FormulaC11H7Br2ClN2
Molecular Weight362.45 g/mol
Exact Mass359.87
IUPAC Name3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
SMILESClc1cccc(Nc2ncccc2Br)c1Br
InChIInChI=1S/C11H7Br2ClN2/c12-7-3-2-6-15-11(7)16-9-5-1-4-8(14)10(9)13/h1-6H,(H,15,16)
InChIKeyGVIHPYVGFRHTJL-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.00
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-3-chlorophenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine (CID 103481300) is 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine is Clc1cccc(Nc2ncccc2Br)c1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine?
The InChIKey is GVIHPYVGFRHTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2/c12-7-3-2-6-15-11(7)16-9-5-1-4-8(14)10(9)13/h1-6H,(H,15,16).
What are the key properties of 3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine?
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine has a molecular weight of 362.45 g/mol, XLogP of 5.00, 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-3-chlorophenyl)pyridin-2-amine is sourced from PubChem (CID 103481300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).