2-(bromomethyl)-3-pyridin-4-yloxypyridine

C11H9BrN2O — CID 86110548

IUPAC2-(bromomethyl)-3-pyridin-4-yloxypyridine
SMILESBrCc1ncccc1Oc1ccncc1
InChIInChI=1S/C11H9BrN2O/c12-8-10-11(2-1-5-14-10)15-9-3-6-13-7-4-9/h1-7H,8H2
InChIKeyCTDSFBAGQQIIFX-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.16
Rot. Bonds3

About 2-(bromomethyl)-3-pyridin-4-yloxypyridine

2-(bromomethyl)-3-pyridin-4-yloxypyridine (PubChem CID 86110548) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-(bromomethyl)-3-pyridin-4-yloxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-pyridin-4-yloxypyridine
PubChem CID86110548
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name2-(bromomethyl)-3-pyridin-4-yloxypyridine
SMILESBrCc1ncccc1Oc1ccncc1
InChIInChI=1S/C11H9BrN2O/c12-8-10-11(2-1-5-14-10)15-9-3-6-13-7-4-9/h1-7H,8H2
InChIKeyCTDSFBAGQQIIFX-UHFFFAOYSA-N
XLogP3.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.16
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)-3-pyridin-4-yloxypyridine?
The IUPAC name of 2-(bromomethyl)-3-pyridin-4-yloxypyridine (CID 86110548) is 2-(bromomethyl)-3-pyridin-4-yloxypyridine.
What is the SMILES notation for 2-(bromomethyl)-3-pyridin-4-yloxypyridine?
The canonical SMILES for 2-(bromomethyl)-3-pyridin-4-yloxypyridine is BrCc1ncccc1Oc1ccncc1.
What is the InChIKey of 2-(bromomethyl)-3-pyridin-4-yloxypyridine?
The InChIKey is CTDSFBAGQQIIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-8-10-11(2-1-5-14-10)15-9-3-6-13-7-4-9/h1-7H,8H2.
What are the key properties of 2-(bromomethyl)-3-pyridin-4-yloxypyridine?
2-(bromomethyl)-3-pyridin-4-yloxypyridine has a molecular weight of 265.11 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-pyridin-4-yloxypyridine is sourced from PubChem (CID 86110548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).