6-(bromomethyl)-2-fluoropyridin-3-ol

C6H5BrFNO — CID 130883573

IUPAC6-(bromomethyl)-2-fluoropyridin-3-ol
SMILESOc1ccc(CBr)nc1F
InChIInChI=1S/C6H5BrFNO/c7-3-4-1-2-5(10)6(8)9-4/h1-2,10H,3H2
InChIKeyDAWBJYNXUSQATK-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.82
Rot. Bonds1

About 6-(bromomethyl)-2-fluoropyridin-3-ol

6-(bromomethyl)-2-fluoropyridin-3-ol (PubChem CID 130883573) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 6-(bromomethyl)-2-fluoropyridin-3-ol.

Molecular Properties

Compound Name6-(bromomethyl)-2-fluoropyridin-3-ol
PubChem CID130883573
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name6-(bromomethyl)-2-fluoropyridin-3-ol
SMILESOc1ccc(CBr)nc1F
InChIInChI=1S/C6H5BrFNO/c7-3-4-1-2-5(10)6(8)9-4/h1-2,10H,3H2
InChIKeyDAWBJYNXUSQATK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-fluoropyridin-3-ol?
The IUPAC name of 6-(bromomethyl)-2-fluoropyridin-3-ol (CID 130883573) is 6-(bromomethyl)-2-fluoropyridin-3-ol.
What is the SMILES notation for 6-(bromomethyl)-2-fluoropyridin-3-ol?
The canonical SMILES for 6-(bromomethyl)-2-fluoropyridin-3-ol is Oc1ccc(CBr)nc1F.
What is the InChIKey of 6-(bromomethyl)-2-fluoropyridin-3-ol?
The InChIKey is DAWBJYNXUSQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-3-4-1-2-5(10)6(8)9-4/h1-2,10H,3H2.
What are the key properties of 6-(bromomethyl)-2-fluoropyridin-3-ol?
6-(bromomethyl)-2-fluoropyridin-3-ol has a molecular weight of 206.01 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-fluoropyridin-3-ol is sourced from PubChem (CID 130883573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).