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

C12H8BrClN2O — CID 81272185

IUPACN-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccncc1
InChIInChI=1S/C12H8BrClN2O/c13-10-2-1-9(14)7-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyAUWSSSHFJWCFKR-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

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

N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide (PubChem CID 81272185) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
PubChem CID81272185
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC NameN-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccncc1
InChIInChI=1S/C12H8BrClN2O/c13-10-2-1-9(14)7-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyAUWSSSHFJWCFKR-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-chlorophenyl)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

N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
CID 81275531
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide (CID 81272185) is N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Br)c1ccncc1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is AUWSSSHFJWCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-10-2-1-9(14)7-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17).
What are the key properties of N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide?
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 311.57 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 81272185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).