N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide

C13H7BrFN3O — CID 115115806

IUPACN-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(Br)ccc2F)ccn1
InChIInChI=1S/C13H7BrFN3O/c14-9-1-2-11(15)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19)
InChIKeyLWRHSZABZGKRCK-UHFFFAOYSA-N
MW320.12 g/mol
LogP3.11
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide

N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide (PubChem CID 115115806) has the molecular formula C13H7BrFN3O and a molecular weight of 320.12 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
PubChem CID115115806
Molecular FormulaC13H7BrFN3O
Molecular Weight320.12 g/mol
Exact Mass318.98
IUPAC NameN-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cc(Br)ccc2F)ccn1
InChIInChI=1S/C13H7BrFN3O/c14-9-1-2-11(15)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19)
InChIKeyLWRHSZABZGKRCK-UHFFFAOYSA-N
XLogP3.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(5-bromo-2-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62170420
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(5-bromo-2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103955653
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
N-(5-bromo-2-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861387

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide (CID 115115806) is N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide is N#Cc1cc(C(=O)Nc2cc(Br)ccc2F)ccn1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide?
The InChIKey is LWRHSZABZGKRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O/c14-9-1-2-11(15)12(6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19).
What are the key properties of N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide?
N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide has a molecular weight of 320.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide is sourced from PubChem (CID 115115806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).