2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine

C18H15BrN2O — CID 170458588

IUPAC2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(CBr)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C18H15BrN2O/c1-22-16-7-5-13(6-8-16)14-10-15(12-19)21-18(11-14)17-4-2-3-9-20-17/h2-11H,12H2,1H3
InChIKeyNHMINZDUSBMRCT-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.71
Rot. Bonds4

About 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine

2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine (PubChem CID 170458588) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine
PubChem CID170458588
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2cc(CBr)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C18H15BrN2O/c1-22-16-7-5-13(6-8-16)14-10-15(12-19)21-18(11-14)17-4-2-3-9-20-17/h2-11H,12H2,1H3
InChIKeyNHMINZDUSBMRCT-UHFFFAOYSA-N
XLogP4.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine (CID 170458588) is 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine is COc1ccc(-c2cc(CBr)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine?
The InChIKey is NHMINZDUSBMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-22-16-7-5-13(6-8-16)14-10-15(12-19)21-18(11-14)17-4-2-3-9-20-17/h2-11H,12H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine?
2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine has a molecular weight of 355.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(4-methoxyphenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 170458588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).