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

C12H9BrFN3O — CID 107948735

IUPACN-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Br)c2F)nc1
InChIInChI=1S/C12H9BrFN3O/c13-9-3-1-2-8(11(9)14)12(18)17-10-5-4-7(15)6-16-10/h1-6H,15H2,(H,16,17,18)
InChIKeyBWFGRIISGQLERR-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.82
Rot. Bonds2

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

N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide (PubChem CID 107948735) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
PubChem CID107948735
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC NameN-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Br)c2F)nc1
InChIInChI=1S/C12H9BrFN3O/c13-9-3-1-2-8(11(9)14)12(18)17-10-5-4-7(15)6-16-10/h1-6H,15H2,(H,16,17,18)
InChIKeyBWFGRIISGQLERR-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
N-(5-amino-2-pyridinyl)-3-bromobenzamide
CID 43144581
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide (CID 107948735) is N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide is Nc1ccc(NC(=O)c2cccc(Br)c2F)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide?
The InChIKey is BWFGRIISGQLERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-9-3-1-2-8(11(9)14)12(18)17-10-5-4-7(15)6-16-10/h1-6H,15H2,(H,16,17,18).
What are the key properties of N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide?
N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide has a molecular weight of 310.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107948735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).