(2,5-dibromo-3-fluoro-4-pyridinyl)methanol

C6H4Br2FNO — CID 134818539

IUPAC(2,5-dibromo-3-fluoro-4-pyridinyl)methanol
SMILESOCc1c(Br)cnc(Br)c1F
InChIInChI=1S/C6H4Br2FNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1,11H,2H2
InChIKeyYKIBEXBIIJKKAP-UHFFFAOYSA-N
MW284.91 g/mol
LogP2.24
Rot. Bonds1

About (2,5-dibromo-3-fluoro-4-pyridinyl)methanol

(2,5-dibromo-3-fluoro-4-pyridinyl)methanol (PubChem CID 134818539) has the molecular formula C6H4Br2FNO and a molecular weight of 284.91 g/mol. Its IUPAC name is (2,5-dibromo-3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-3-fluoro-4-pyridinyl)methanol
PubChem CID134818539
Molecular FormulaC6H4Br2FNO
Molecular Weight284.91 g/mol
Exact Mass282.86
IUPAC Name(2,5-dibromo-3-fluoro-4-pyridinyl)methanol
SMILESOCc1c(Br)cnc(Br)c1F
InChIInChI=1S/C6H4Br2FNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1,11H,2H2
InChIKeyYKIBEXBIIJKKAP-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.91
LogP ≤ 52.24
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 (2,5-dibromo-3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (2,5-dibromo-3-fluoro-4-pyridinyl)methanol (CID 134818539) is (2,5-dibromo-3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (2,5-dibromo-3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (2,5-dibromo-3-fluoro-4-pyridinyl)methanol is OCc1c(Br)cnc(Br)c1F.
What is the InChIKey of (2,5-dibromo-3-fluoro-4-pyridinyl)methanol?
The InChIKey is YKIBEXBIIJKKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2FNO/c7-4-1-10-6(8)5(9)3(4)2-11/h1,11H,2H2.
What are the key properties of (2,5-dibromo-3-fluoro-4-pyridinyl)methanol?
(2,5-dibromo-3-fluoro-4-pyridinyl)methanol has a molecular weight of 284.91 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 134818539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).