6-bromo-3-fluoro-2-methylpyridine

C12H10Br2F2N2 — CID 118703748

IUPAC6-bromo-3-fluoro-2-methylpyridine
SMILESCc1nc(Br)ccc1F.Cc1nc(Br)ccc1F
InChIInChI=1S/2C6H5BrFN/c2*1-4-5(8)2-3-6(7)9-4/h2*2-3H,1H3
InChIKeyOJCGPICDHUAIJS-UHFFFAOYSA-N
MW380.03 g/mol
LogP4.58
Rot. Bonds

About 6-bromo-3-fluoro-2-methylpyridine

6-bromo-3-fluoro-2-methylpyridine (PubChem CID 118703748) has the molecular formula C12H10Br2F2N2 and a molecular weight of 380.03 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methylpyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methylpyridine
PubChem CID118703748
Molecular FormulaC12H10Br2F2N2
Molecular Weight380.03 g/mol
Exact Mass377.92
IUPAC Name6-bromo-3-fluoro-2-methylpyridine
SMILESCc1nc(Br)ccc1F.Cc1nc(Br)ccc1F
InChIInChI=1S/2C6H5BrFN/c2*1-4-5(8)2-3-6(7)9-4/h2*2-3H,1H3
InChIKeyOJCGPICDHUAIJS-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.03
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methylpyridine?
The IUPAC name of 6-bromo-3-fluoro-2-methylpyridine (CID 118703748) is 6-bromo-3-fluoro-2-methylpyridine.
What is the SMILES notation for 6-bromo-3-fluoro-2-methylpyridine?
The canonical SMILES for 6-bromo-3-fluoro-2-methylpyridine is Cc1nc(Br)ccc1F.Cc1nc(Br)ccc1F.
What is the InChIKey of 6-bromo-3-fluoro-2-methylpyridine?
The InChIKey is OJCGPICDHUAIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5BrFN/c2*1-4-5(8)2-3-6(7)9-4/h2*2-3H,1H3.
What are the key properties of 6-bromo-3-fluoro-2-methylpyridine?
6-bromo-3-fluoro-2-methylpyridine has a molecular weight of 380.03 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methylpyridine is sourced from PubChem (CID 118703748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).