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

C13H11BrFN3O — CID 105384093

IUPAC2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnc(N)c2F)ccc1Br
InChIInChI=1S/C13H11BrFN3O/c1-7-6-8(2-3-10(7)14)18-13(19)9-4-5-17-12(16)11(9)15/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyUXZABKNTIDEBMF-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds2

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

2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105384093) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105384093
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnc(N)c2F)ccc1Br
InChIInChI=1S/C13H11BrFN3O/c1-7-6-8(2-3-10(7)14)18-13(19)9-4-5-17-12(16)11(9)15/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyUXZABKNTIDEBMF-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-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105387129
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
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
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236877
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
CID 105387248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide (CID 105384093) is 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide is Cc1cc(NC(=O)c2ccnc(N)c2F)ccc1Br.
What is the InChIKey of 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is UXZABKNTIDEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-6-8(2-3-10(7)14)18-13(19)9-4-5-17-12(16)11(9)15/h2-6H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide?
2-amino-N-(4-bromo-3-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-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).