5-bromo-2-phenylmethoxypyridine

C12H10BrNO — CID 11108191

IUPAC5-bromo-2-phenylmethoxypyridine
SMILESBrc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLXKTVNFZAFTUNZ-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.42
Rot. Bonds3

About 5-bromo-2-phenylmethoxypyridine

5-bromo-2-phenylmethoxypyridine (PubChem CID 11108191) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxypyridine.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxypyridine
PubChem CID11108191
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name5-bromo-2-phenylmethoxypyridine
SMILESBrc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLXKTVNFZAFTUNZ-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxypyridine?
The IUPAC name of 5-bromo-2-phenylmethoxypyridine (CID 11108191) is 5-bromo-2-phenylmethoxypyridine.
What is the SMILES notation for 5-bromo-2-phenylmethoxypyridine?
The canonical SMILES for 5-bromo-2-phenylmethoxypyridine is Brc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-phenylmethoxypyridine?
The InChIKey is LXKTVNFZAFTUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 5-bromo-2-phenylmethoxypyridine?
5-bromo-2-phenylmethoxypyridine has a molecular weight of 264.12 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylmethoxypyridine is sourced from PubChem (CID 11108191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).