N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide

C12H7BrCl2N2O — CID 81027409

IUPACN-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1cccnc1Cl
InChIInChI=1S/C12H7BrCl2N2O/c13-9-6-7(14)3-4-10(9)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)
InChIKeyNSXYKTSENJBUOW-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide

N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide (PubChem CID 81027409) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
PubChem CID81027409
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1cccnc1Cl
InChIInChI=1S/C12H7BrCl2N2O/c13-9-6-7(14)3-4-10(9)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)
InChIKeyNSXYKTSENJBUOW-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 81274967
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
CID 60710404
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
N-(2-bromo-4-chlorophenyl)-2,3-dichlorobenzamide
CID 81028936
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide (CID 81027409) is N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Br)c1cccnc1Cl.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is NSXYKTSENJBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-9-6-7(14)3-4-10(9)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide?
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 81027409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).