2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide

C13H11BrFN3O — CID 105387129

IUPAC2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C13H11BrFN3O/c1-7-2-3-9(14)10(6-7)18-13(19)8-4-5-17-12(16)11(8)15/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyQJBHMSXBYAGGFR-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds2

About 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide

2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105387129) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105387129
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C13H11BrFN3O/c1-7-2-3-9(14)10(6-7)18-13(19)8-4-5-17-12(16)11(8)15/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyQJBHMSXBYAGGFR-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

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Related Compounds

2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 102854918
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387954
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide (CID 105387129) is 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide is Cc1ccc(Br)c(NC(=O)c2ccnc(N)c2F)c1.
What is the InChIKey of 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is QJBHMSXBYAGGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-2-3-9(14)10(6-7)18-13(19)8-4-5-17-12(16)11(8)15/h2-6H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-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 2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).