N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide

C13H11BrFN3O — CID 116813696

IUPACN-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
SMILESCc1cc(N)c(NC(=O)c2ccc(F)cn2)c(Br)c1
InChIInChI=1S/C13H11BrFN3O/c1-7-4-9(14)12(10(16)5-7)18-13(19)11-3-2-8(15)6-17-11/h2-6H,16H2,1H3,(H,18,19)
InChIKeyFIOLXOPUYQUSCC-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 116813696) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
PubChem CID116813696
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
SMILESCc1cc(N)c(NC(=O)c2ccc(F)cn2)c(Br)c1
InChIInChI=1S/C13H11BrFN3O/c1-7-4-9(14)12(10(16)5-7)18-13(19)11-3-2-8(15)6-17-11/h2-6H,16H2,1H3,(H,18,19)
InChIKeyFIOLXOPUYQUSCC-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-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

Related Compounds

N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
N-(2,6-dibromo-4-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377960
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide (CID 116813696) is N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide is Cc1cc(N)c(NC(=O)c2ccc(F)cn2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is FIOLXOPUYQUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-4-9(14)12(10(16)5-7)18-13(19)11-3-2-8(15)6-17-11/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 324.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 116813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).