5-(bromomethyl)-2-fluoropyridine;hydrobromide

C6H6Br2FN — CID 121231867

IUPAC5-(bromomethyl)-2-fluoropyridine;hydrobromide
SMILESBr.Fc1ccc(CBr)cn1
InChIInChI=1S/C6H5BrFN.BrH/c7-3-5-1-2-6(8)9-4-5;/h1-2,4H,3H2;1H
InChIKeyLYJVGWWHIWBHEC-UHFFFAOYSA-N
MW270.93 g/mol
LogP2.69
Rot. Bonds1

About 5-(bromomethyl)-2-fluoropyridine;hydrobromide

5-(bromomethyl)-2-fluoropyridine;hydrobromide (PubChem CID 121231867) has the molecular formula C6H6Br2FN and a molecular weight of 270.93 g/mol. Its IUPAC name is 5-(bromomethyl)-2-fluoropyridine;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-2-fluoropyridine;hydrobromide
PubChem CID121231867
Molecular FormulaC6H6Br2FN
Molecular Weight270.93 g/mol
Exact Mass268.89
IUPAC Name5-(bromomethyl)-2-fluoropyridine;hydrobromide
SMILESBr.Fc1ccc(CBr)cn1
InChIInChI=1S/C6H5BrFN.BrH/c7-3-5-1-2-6(8)9-4-5;/h1-2,4H,3H2;1H
InChIKeyLYJVGWWHIWBHEC-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.93
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 1049
CID 1049
CID 7970
CID 7970
CID 7963
CID 7963
CID 7502
CID 7502
CID 79
CID 79
CID 10823
CID 10823
CID 31018
CID 31018
CID 10874
CID 10874
CID 10822
CID 10822
CID 23905
CID 23905
CID 558519
CID 558519
CID 68254
CID 68254

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-fluoropyridine;hydrobromide?
The IUPAC name of 5-(bromomethyl)-2-fluoropyridine;hydrobromide (CID 121231867) is 5-(bromomethyl)-2-fluoropyridine;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-2-fluoropyridine;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-2-fluoropyridine;hydrobromide is Br.Fc1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-fluoropyridine;hydrobromide?
The InChIKey is LYJVGWWHIWBHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN.BrH/c7-3-5-1-2-6(8)9-4-5;/h1-2,4H,3H2;1H.
What are the key properties of 5-(bromomethyl)-2-fluoropyridine;hydrobromide?
5-(bromomethyl)-2-fluoropyridine;hydrobromide has a molecular weight of 270.93 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-fluoropyridine;hydrobromide is sourced from PubChem (CID 121231867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).