[2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol

C18H13BrFNO — CID 131955055

IUPAC[2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C18H13BrFNO/c19-15-5-1-13(2-6-15)17-9-12(11-22)10-18(21-17)14-3-7-16(20)8-4-14/h1-10,22H,11H2
InChIKeyIZHJXGWMRICUQT-UHFFFAOYSA-N
MW358.21 g/mol
LogP4.81
Rot. Bonds3

About [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol

[2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol (PubChem CID 131955055) has the molecular formula C18H13BrFNO and a molecular weight of 358.21 g/mol. Its IUPAC name is [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol
PubChem CID131955055
Molecular FormulaC18H13BrFNO
Molecular Weight358.21 g/mol
Exact Mass357.02
IUPAC Name[2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C18H13BrFNO/c19-15-5-1-13(2-6-15)17-9-12(11-22)10-18(21-17)14-3-7-16(20)8-4-14/h1-10,22H,11H2
InChIKeyIZHJXGWMRICUQT-UHFFFAOYSA-N
XLogP4.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol (CID 131955055) is [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol is OCc1cc(-c2ccc(F)cc2)nc(-c2ccc(Br)cc2)c1.
What is the InChIKey of [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol?
The InChIKey is IZHJXGWMRICUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO/c19-15-5-1-13(2-6-15)17-9-12(11-22)10-18(21-17)14-3-7-16(20)8-4-14/h1-10,22H,11H2.
What are the key properties of [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol?
[2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol has a molecular weight of 358.21 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-6-(4-fluorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 131955055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).