(5-bromo-2-fluoro-3-pyridinyl)methanol

C6H5BrFNO — CID 69084872

IUPAC(5-bromo-2-fluoro-3-pyridinyl)methanol
SMILESOCc1cc(Br)cnc1F
InChIInChI=1S/C6H5BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
InChIKeyLWJZBGIOIZYWAX-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.48
Rot. Bonds1

About (5-bromo-2-fluoro-3-pyridinyl)methanol

(5-bromo-2-fluoro-3-pyridinyl)methanol (PubChem CID 69084872) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is (5-bromo-2-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluoro-3-pyridinyl)methanol
PubChem CID69084872
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name(5-bromo-2-fluoro-3-pyridinyl)methanol
SMILESOCc1cc(Br)cnc1F
InChIInChI=1S/C6H5BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
InChIKeyLWJZBGIOIZYWAX-UHFFFAOYSA-N
XLogP1.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5-bromo-2-fluoro-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-2-fluoro-3-pyridinyl)methanol (CID 69084872) is (5-bromo-2-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-2-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-2-fluoro-3-pyridinyl)methanol is OCc1cc(Br)cnc1F.
What is the InChIKey of (5-bromo-2-fluoro-3-pyridinyl)methanol?
The InChIKey is LWJZBGIOIZYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2.
What are the key properties of (5-bromo-2-fluoro-3-pyridinyl)methanol?
(5-bromo-2-fluoro-3-pyridinyl)methanol has a molecular weight of 206.01 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 69084872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).