3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine

C19H16BrNO — CID 3066127

IUPAC3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine
SMILESBrc1ccccc1-c1ccc(COCc2cccnc2)cc1
InChIInChI=1S/C19H16BrNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2
InChIKeyILBFLHWCUFGDTC-UHFFFAOYSA-N
MW354.25 g/mol
LogP5.23
Rot. Bonds5

About 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine

3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine (PubChem CID 3066127) has the molecular formula C19H16BrNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine
PubChem CID3066127
Molecular FormulaC19H16BrNO
Molecular Weight354.25 g/mol
Exact Mass353.04
IUPAC Name3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine
SMILESBrc1ccccc1-c1ccc(COCc2cccnc2)cc1
InChIInChI=1S/C19H16BrNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2
InChIKeyILBFLHWCUFGDTC-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine?
The IUPAC name of 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine (CID 3066127) is 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine.
What is the SMILES notation for 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine?
The canonical SMILES for 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine is Brc1ccccc1-c1ccc(COCc2cccnc2)cc1.
What is the InChIKey of 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine?
The InChIKey is ILBFLHWCUFGDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2.
What are the key properties of 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine?
3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine has a molecular weight of 354.25 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-bromophenyl)phenyl]methoxymethyl]pyridine is sourced from PubChem (CID 3066127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).