4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol

C20H19BrN2O2 — CID 23506283

IUPAC4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol
SMILESOc1cnccc1CCCOc1cccnc1Cc1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O2/c21-17-6-1-4-15(12-17)13-18-20(7-2-9-23-18)25-11-3-5-16-8-10-22-14-19(16)24/h1-2,4,6-10,12,14,24H,3,5,11,13H2
InChIKeyUZYBYEFLHUDQEB-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.55
Rot. Bonds7

About 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol

4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol (PubChem CID 23506283) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol.

Molecular Properties

Compound Name4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol
PubChem CID23506283
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol
SMILESOc1cnccc1CCCOc1cccnc1Cc1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O2/c21-17-6-1-4-15(12-17)13-18-20(7-2-9-23-18)25-11-3-5-16-8-10-22-14-19(16)24/h1-2,4,6-10,12,14,24H,3,5,11,13H2
InChIKeyUZYBYEFLHUDQEB-UHFFFAOYSA-N
XLogP4.55
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol?
The IUPAC name of 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol (CID 23506283) is 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol.
What is the SMILES notation for 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol?
The canonical SMILES for 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol is Oc1cnccc1CCCOc1cccnc1Cc1cccc(Br)c1.
What is the InChIKey of 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol?
The InChIKey is UZYBYEFLHUDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c21-17-6-1-4-15(12-17)13-18-20(7-2-9-23-18)25-11-3-5-16-8-10-22-14-19(16)24/h1-2,4,6-10,12,14,24H,3,5,11,13H2.
What are the key properties of 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol?
4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol has a molecular weight of 399.29 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol is sourced from PubChem (CID 23506283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).