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

C12H7Br2FN2O — CID 103756062

IUPAC2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1ccnc(Br)c1
InChIInChI=1S/C12H7Br2FN2O/c13-9-2-1-8(15)6-10(9)17-12(18)7-3-4-16-11(14)5-7/h1-6H,(H,17,18)
InChIKeyADRYSZKBSIVRJJ-UHFFFAOYSA-N
MW374.01 g/mol
LogP4.00
Rot. Bonds2

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

2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide (PubChem CID 103756062) has the molecular formula C12H7Br2FN2O and a molecular weight of 374.01 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
PubChem CID103756062
Molecular FormulaC12H7Br2FN2O
Molecular Weight374.01 g/mol
Exact Mass371.89
IUPAC Name2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1ccnc(Br)c1
InChIInChI=1S/C12H7Br2FN2O/c13-9-2-1-8(15)6-10(9)17-12(18)7-3-4-16-11(14)5-7/h1-6H,(H,17,18)
InChIKeyADRYSZKBSIVRJJ-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.01
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-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

6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62165424
2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide
CID 114259076
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide (CID 103756062) is 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(F)ccc1Br)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is ADRYSZKBSIVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FN2O/c13-9-2-1-8(15)6-10(9)17-12(18)7-3-4-16-11(14)5-7/h1-6H,(H,17,18).
What are the key properties of 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide?
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 374.01 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103756062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).