6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C16H13BrN4 — CID 87745943

IUPAC6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cccc(Br)n3)n2)c1
InChIInChI=1S/C16H13BrN4/c1-11-8-9-18-16(10-11)21-15-7-3-5-13(20-15)12-4-2-6-14(17)19-12/h2-10H,1H3,(H,18,20,21)
InChIKeyHRKCXMAKUDHTQX-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.35
Rot. Bonds3

About 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 87745943) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID87745943
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cccc(Br)n3)n2)c1
InChIInChI=1S/C16H13BrN4/c1-11-8-9-18-16(10-11)21-15-7-3-5-13(20-15)12-4-2-6-14(17)19-12/h2-10H,1H3,(H,18,20,21)
InChIKeyHRKCXMAKUDHTQX-UHFFFAOYSA-N
XLogP4.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 87745943) is 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3cccc(Br)n3)n2)c1.
What is the InChIKey of 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is HRKCXMAKUDHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c1-11-8-9-18-16(10-11)21-15-7-3-5-13(20-15)12-4-2-6-14(17)19-12/h2-10H,1H3,(H,18,20,21).
What are the key properties of 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 341.21 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-pyridinyl)-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 87745943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).