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

C12H7BrClFN2O — CID 103753577

IUPACN-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cc(Cl)ccn1
InChIInChI=1S/C12H7BrClFN2O/c13-9-2-1-8(15)6-10(9)17-12(18)11-5-7(14)3-4-16-11/h1-6H,(H,17,18)
InChIKeyOHODKEHWVFMUDA-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide (PubChem CID 103753577) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
PubChem CID103753577
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cc(Cl)ccn1
InChIInChI=1S/C12H7BrClFN2O/c13-9-2-1-8(15)6-10(9)17-12(18)11-5-7(14)3-4-16-11/h1-6H,(H,17,18)
InChIKeyOHODKEHWVFMUDA-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
CID 115279672
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide (CID 103753577) is N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide is O=C(Nc1cc(F)ccc1Br)c1cc(Cl)ccn1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide?
The InChIKey is OHODKEHWVFMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-9-2-1-8(15)6-10(9)17-12(18)11-5-7(14)3-4-16-11/h1-6H,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide?
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 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-fluorophenyl)-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 103753577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).