N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide

C13H9Br2FN2O — CID 63973532

IUPACN-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(F)nc2)c(Br)c1
InChIInChI=1S/C13H9Br2FN2O/c1-7-4-9(14)12(10(15)5-7)18-13(19)8-2-3-11(16)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyCYPCXJOTMMOIAZ-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.31
Rot. Bonds2

About N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide

N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63973532) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
PubChem CID63973532
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(F)nc2)c(Br)c1
InChIInChI=1S/C13H9Br2FN2O/c1-7-4-9(14)12(10(15)5-7)18-13(19)8-2-3-11(16)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyCYPCXJOTMMOIAZ-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
CID 107598690
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
CID 63971187
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
N-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
N-(2,5-dichloro-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 115761018
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide (CID 63973532) is N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide is Cc1cc(Br)c(NC(=O)c2ccc(F)nc2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is CYPCXJOTMMOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c1-7-4-9(14)12(10(15)5-7)18-13(19)8-2-3-11(16)17-6-8/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide?
N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 388.03 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).