1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol

C20H14BrNO2 — CID 57340425

IUPAC1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Br)cc1)(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H14BrNO2/c21-17-9-7-15(8-10-17)20(23,16-5-3-11-22-13-16)19-12-14-4-1-2-6-18(14)24-19/h1-13,23H
InChIKeyQBGHNTFWAOYJHM-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.87
Rot. Bonds3

About 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol

1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol (PubChem CID 57340425) has the molecular formula C20H14BrNO2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol
PubChem CID57340425
Molecular FormulaC20H14BrNO2
Molecular Weight380.24 g/mol
Exact Mass379.02
IUPAC Name1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Br)cc1)(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H14BrNO2/c21-17-9-7-15(8-10-17)20(23,16-5-3-11-22-13-16)19-12-14-4-1-2-6-18(14)24-19/h1-13,23H
InChIKeyQBGHNTFWAOYJHM-UHFFFAOYSA-N
XLogP4.87
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol?
The IUPAC name of 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol (CID 57340425) is 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol is OC(c1ccc(Br)cc1)(c1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol?
The InChIKey is QBGHNTFWAOYJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO2/c21-17-9-7-15(8-10-17)20(23,16-5-3-11-22-13-16)19-12-14-4-1-2-6-18(14)24-19/h1-13,23H.
What are the key properties of 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol?
1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol has a molecular weight of 380.24 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-bromophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 57340425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).