2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine

C17H13BrN2O — CID 15326156

IUPAC2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine
SMILESCOc1cccc(-c2ccc(-c3cccc(Br)n3)nc2)c1
InChIInChI=1S/C17H13BrN2O/c1-21-14-5-2-4-12(10-14)13-8-9-15(19-11-13)16-6-3-7-17(18)20-16/h2-11H,1H3
InChIKeyZJOZBYSZKWXFFJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.58
Rot. Bonds3

About 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine

2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine (PubChem CID 15326156) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine
PubChem CID15326156
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine
SMILESCOc1cccc(-c2ccc(-c3cccc(Br)n3)nc2)c1
InChIInChI=1S/C17H13BrN2O/c1-21-14-5-2-4-12(10-14)13-8-9-15(19-11-13)16-6-3-7-17(18)20-16/h2-11H,1H3
InChIKeyZJOZBYSZKWXFFJ-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-2-pyridinyl)-7-methoxyquinoline
CID 164678928
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 86660860
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058
5-(5-fluoro-2-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104638670
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine (CID 15326156) is 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine is COc1cccc(-c2ccc(-c3cccc(Br)n3)nc2)c1.
What is the InChIKey of 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine?
The InChIKey is ZJOZBYSZKWXFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-21-14-5-2-4-12(10-14)13-8-9-15(19-11-13)16-6-3-7-17(18)20-16/h2-11H,1H3.
What are the key properties of 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine?
2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine has a molecular weight of 341.21 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 15326156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).