2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol

C18H14BrNO — CID 162650879

IUPAC2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol
SMILESOc1ccccc1C(c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C18H14BrNO/c19-14-10-8-13(9-11-14)18(16-6-3-4-12-20-16)15-5-1-2-7-17(15)21/h1-12,18,21H
InChIKeyQSSLAYODZJXVIR-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.73
Rot. Bonds3

About 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol

2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol (PubChem CID 162650879) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol
PubChem CID162650879
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol
SMILESOc1ccccc1C(c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C18H14BrNO/c19-14-10-8-13(9-11-14)18(16-6-3-4-12-20-16)15-5-1-2-7-17(15)21/h1-12,18,21H
InChIKeyQSSLAYODZJXVIR-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol?
The IUPAC name of 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol (CID 162650879) is 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol.
What is the SMILES notation for 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol?
The canonical SMILES for 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol is Oc1ccccc1C(c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol?
The InChIKey is QSSLAYODZJXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c19-14-10-8-13(9-11-14)18(16-6-3-4-12-20-16)15-5-1-2-7-17(15)21/h1-12,18,21H.
What are the key properties of 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol?
2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol has a molecular weight of 340.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 162650879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).