3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol

C15H15BrFNO2 — CID 175531853

IUPAC3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol
SMILESOCCCc1cc(F)ccc1C(O)c1cccc(Br)n1
InChIInChI=1S/C15H15BrFNO2/c16-14-5-1-4-13(18-14)15(20)12-7-6-11(17)9-10(12)3-2-8-19/h1,4-7,9,15,19-20H,2-3,8H2
InChIKeyQYSYQTCEWIFSTB-UHFFFAOYSA-N
MW340.19 g/mol
LogP2.99
Rot. Bonds5

About 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol

3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol (PubChem CID 175531853) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol
PubChem CID175531853
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol
SMILESOCCCc1cc(F)ccc1C(O)c1cccc(Br)n1
InChIInChI=1S/C15H15BrFNO2/c16-14-5-1-4-13(18-14)15(20)12-7-6-11(17)9-10(12)3-2-8-19/h1,4-7,9,15,19-20H,2-3,8H2
InChIKeyQYSYQTCEWIFSTB-UHFFFAOYSA-N
XLogP2.99
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol?
The IUPAC name of 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol (CID 175531853) is 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol?
The canonical SMILES for 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol is OCCCc1cc(F)ccc1C(O)c1cccc(Br)n1.
What is the InChIKey of 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol?
The InChIKey is QYSYQTCEWIFSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c16-14-5-1-4-13(18-14)15(20)12-7-6-11(17)9-10(12)3-2-8-19/h1,4-7,9,15,19-20H,2-3,8H2.
What are the key properties of 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol?
3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol has a molecular weight of 340.19 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol is sourced from PubChem (CID 175531853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).