6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide

C10H10BrFN2O — CID 169225439

IUPAC6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(C)C(=O)c1ccc(F)c(Br)n1
InChIInChI=1S/C10H10BrFN2O/c1-3-6-14(2)10(15)8-5-4-7(12)9(11)13-8/h3-5H,1,6H2,2H3
InChIKeyZJSQWGRIQVIZQA-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.24
Rot. Bonds3

About 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide

6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 169225439) has the molecular formula C10H10BrFN2O and a molecular weight of 273.11 g/mol. Its IUPAC name is 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide
PubChem CID169225439
Molecular FormulaC10H10BrFN2O
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(C)C(=O)c1ccc(F)c(Br)n1
InChIInChI=1S/C10H10BrFN2O/c1-3-6-14(2)10(15)8-5-4-7(12)9(11)13-8/h3-5H,1,6H2,2H3
InChIKeyZJSQWGRIQVIZQA-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide (CID 169225439) is 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide is C=CCN(C)C(=O)c1ccc(F)c(Br)n1.
What is the InChIKey of 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is ZJSQWGRIQVIZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c1-3-6-14(2)10(15)8-5-4-7(12)9(11)13-8/h3-5H,1,6H2,2H3.
What are the key properties of 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide?
6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 273.11 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-N-methyl-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 169225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).