6-bromo-2-fluoro-3-methoxypyridine

C6H5BrFNO — CID 46863893

IUPAC6-bromo-2-fluoro-3-methoxypyridine
SMILESCOc1ccc(Br)nc1F
InChIInChI=1S/C6H5BrFNO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKeySJOBMIWECHDGAY-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.99
Rot. Bonds1

About 6-bromo-2-fluoro-3-methoxypyridine

6-bromo-2-fluoro-3-methoxypyridine (PubChem CID 46863893) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-methoxypyridine
PubChem CID46863893
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name6-bromo-2-fluoro-3-methoxypyridine
SMILESCOc1ccc(Br)nc1F
InChIInChI=1S/C6H5BrFNO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKeySJOBMIWECHDGAY-UHFFFAOYSA-N
XLogP1.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-3-methoxypyridine
CID 90364
2-Bromo-6-methoxypyridine
CID 256810
3-Bromo-5-methoxypyridine
CID 817163
3-Bromo-2,6-dimethoxypyridine
CID 642860
2-[(6-bromo-3-pyridinyl)oxy]-N-ethyl-N-methylethanamine
CID 44302527
2-Bromo-5-methoxypyridine
CID 11148151
2-Fluoro-3-methoxypyridine
CID 45079809
2-Bromo-3-(methoxymethoxy)pyridine
CID 11586573
2-Bromo-3-ethoxypyridine
CID 10631926
2-Bromo-3-methoxy-6-methylpyridine
CID 10965563
2,6-Dibromo-3-methoxypyridine
CID 11334637
6-Bromo-2,3-dimethoxypyridine
CID 21828361

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-methoxypyridine?
The IUPAC name of 6-bromo-2-fluoro-3-methoxypyridine (CID 46863893) is 6-bromo-2-fluoro-3-methoxypyridine.
What is the SMILES notation for 6-bromo-2-fluoro-3-methoxypyridine?
The canonical SMILES for 6-bromo-2-fluoro-3-methoxypyridine is COc1ccc(Br)nc1F.
What is the InChIKey of 6-bromo-2-fluoro-3-methoxypyridine?
The InChIKey is SJOBMIWECHDGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3.
What are the key properties of 6-bromo-2-fluoro-3-methoxypyridine?
6-bromo-2-fluoro-3-methoxypyridine has a molecular weight of 206.01 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-methoxypyridine is sourced from PubChem (CID 46863893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).