6-fluoro-2-methylpyridine-3-carbonyl bromide

C7H5BrFNO — CID 119084429

IUPAC6-fluoro-2-methylpyridine-3-carbonyl bromide
SMILESCc1nc(F)ccc1C(=O)Br
InChIInChI=1S/C7H5BrFNO/c1-4-5(7(8)11)2-3-6(9)10-4/h2-3H,1H3
InChIKeyKRBOHKVVUYGBMR-UHFFFAOYSA-N
MW218.02 g/mol
LogP2.06
Rot. Bonds1

About 6-fluoro-2-methylpyridine-3-carbonyl bromide

6-fluoro-2-methylpyridine-3-carbonyl bromide (PubChem CID 119084429) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 6-fluoro-2-methylpyridine-3-carbonyl bromide.

Molecular Properties

Compound Name6-fluoro-2-methylpyridine-3-carbonyl bromide
PubChem CID119084429
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name6-fluoro-2-methylpyridine-3-carbonyl bromide
SMILESCc1nc(F)ccc1C(=O)Br
InChIInChI=1S/C7H5BrFNO/c1-4-5(7(8)11)2-3-6(9)10-4/h2-3H,1H3
InChIKeyKRBOHKVVUYGBMR-UHFFFAOYSA-N
XLogP2.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylpyridine-3-carbonyl bromide?
The IUPAC name of 6-fluoro-2-methylpyridine-3-carbonyl bromide (CID 119084429) is 6-fluoro-2-methylpyridine-3-carbonyl bromide.
What is the SMILES notation for 6-fluoro-2-methylpyridine-3-carbonyl bromide?
The canonical SMILES for 6-fluoro-2-methylpyridine-3-carbonyl bromide is Cc1nc(F)ccc1C(=O)Br.
What is the InChIKey of 6-fluoro-2-methylpyridine-3-carbonyl bromide?
The InChIKey is KRBOHKVVUYGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c1-4-5(7(8)11)2-3-6(9)10-4/h2-3H,1H3.
What are the key properties of 6-fluoro-2-methylpyridine-3-carbonyl bromide?
6-fluoro-2-methylpyridine-3-carbonyl bromide has a molecular weight of 218.02 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylpyridine-3-carbonyl bromide is sourced from PubChem (CID 119084429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).