3-[(3-bromophenoxy)methyl]pyridine

C12H10BrNO — CID 24703634

IUPAC3-[(3-bromophenoxy)methyl]pyridine
SMILESBrc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C12H10BrNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8H,9H2
InChIKeyBNBOLKBOLXBZLZ-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.42
Rot. Bonds3

About 3-[(3-bromophenoxy)methyl]pyridine

3-[(3-bromophenoxy)methyl]pyridine (PubChem CID 24703634) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-[(3-bromophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-bromophenoxy)methyl]pyridine
PubChem CID24703634
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name3-[(3-bromophenoxy)methyl]pyridine
SMILESBrc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C12H10BrNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8H,9H2
InChIKeyBNBOLKBOLXBZLZ-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 3-[(3-bromophenoxy)methyl]pyridine?
The IUPAC name of 3-[(3-bromophenoxy)methyl]pyridine (CID 24703634) is 3-[(3-bromophenoxy)methyl]pyridine.
What is the SMILES notation for 3-[(3-bromophenoxy)methyl]pyridine?
The canonical SMILES for 3-[(3-bromophenoxy)methyl]pyridine is Brc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3-[(3-bromophenoxy)methyl]pyridine?
The InChIKey is BNBOLKBOLXBZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8H,9H2.
What are the key properties of 3-[(3-bromophenoxy)methyl]pyridine?
3-[(3-bromophenoxy)methyl]pyridine 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 3-[(3-bromophenoxy)methyl]pyridine is sourced from PubChem (CID 24703634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).