3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide

C8H8BrFN2O — CID 175890750

IUPAC3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc(F)ccc1Br
InChIInChI=1S/C8H8BrFN2O/c1-12(2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3
InChIKeyQTJPHXJGVHLAFX-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.68
Rot. Bonds1

About 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide

3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide (PubChem CID 175890750) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide
PubChem CID175890750
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc(F)ccc1Br
InChIInChI=1S/C8H8BrFN2O/c1-12(2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3
InChIKeyQTJPHXJGVHLAFX-UHFFFAOYSA-N
XLogP1.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.68
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 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide (CID 175890750) is 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1nc(F)ccc1Br.
What is the InChIKey of 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is QTJPHXJGVHLAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-12(2)8(13)7-5(9)3-4-6(10)11-7/h3-4H,1-2H3.
What are the key properties of 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide?
3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 247.07 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 175890750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).