2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide

C12H8BrCl2N3O — CID 81275531

IUPAC2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2cc(Cl)ccc2Br)cc(Cl)n1
InChIInChI=1S/C12H8BrCl2N3O/c13-8-2-1-7(14)5-9(8)17-12(19)6-3-10(15)18-11(16)4-6/h1-5H,(H2,16,18)(H,17,19)
InChIKeyMPYSJSCHPJTYEL-UHFFFAOYSA-N
MW361.03 g/mol
LogP3.99
Rot. Bonds2

About 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide

2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide (PubChem CID 81275531) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
PubChem CID81275531
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2cc(Cl)ccc2Br)cc(Cl)n1
InChIInChI=1S/C12H8BrCl2N3O/c13-8-2-1-7(14)5-9(8)17-12(19)6-3-10(15)18-11(16)4-6/h1-5H,(H2,16,18)(H,17,19)
InChIKeyMPYSJSCHPJTYEL-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
2-amino-6-chloro-N-(2-iodophenyl)pyridine-4-carboxamide
CID 62154227
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62871680
2-amino-6-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-carboxamide
CID 62151947
2-amino-N-(5-bromo-2-methoxyphenyl)-6-chloropyridine-4-carboxamide
CID 62187028
2-amino-N-(4-bromo-2,6-dichlorophenyl)-6-chloropyridine-4-carboxamide
CID 62155953
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
2-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide (CID 81275531) is 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide is Nc1cc(C(=O)Nc2cc(Cl)ccc2Br)cc(Cl)n1.
What is the InChIKey of 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide?
The InChIKey is MPYSJSCHPJTYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c13-8-2-1-7(14)5-9(8)17-12(19)6-3-10(15)18-11(16)4-6/h1-5H,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide?
2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide has a molecular weight of 361.03 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-chlorophenyl)-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 81275531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).