N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide

C13H11BrFN3O — CID 112555441

IUPACN-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
SMILESCc1cc(N)cnc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H11BrFN3O/c1-7-4-9(16)6-17-12(7)18-13(19)10-5-8(14)2-3-11(10)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyUQLOVSVBYIKFAC-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide

N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide (PubChem CID 112555441) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
PubChem CID112555441
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
SMILESCc1cc(N)cnc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H11BrFN3O/c1-7-4-9(16)6-17-12(7)18-13(19)10-5-8(14)2-3-11(10)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyUQLOVSVBYIKFAC-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

N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334
N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide
CID 112555425
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
CID 112555395
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
N-(5-amino-3-methyl-2-pyridinyl)-2,4-dihydroxybenzamide
CID 107721514
N-(5-amino-3-methyl-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 112555246
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide (CID 112555441) is N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide is Cc1cc(N)cnc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide?
The InChIKey is UQLOVSVBYIKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-4-9(16)6-17-12(7)18-13(19)10-5-8(14)2-3-11(10)15/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide?
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide 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-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 112555441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).