N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide

C12H9Br2N3O — CID 62958937

IUPACN-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H9Br2N3O/c13-7-1-3-10(9(15)5-7)17-12(18)11-4-2-8(14)6-16-11/h1-6H,15H2,(H,17,18)
InChIKeyCNIZXXDZLXXRKO-UHFFFAOYSA-N
MW371.03 g/mol
LogP3.44
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide

N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide (PubChem CID 62958937) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
PubChem CID62958937
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC NameN-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H9Br2N3O/c13-7-1-3-10(9(15)5-7)17-12(18)11-4-2-8(14)6-16-11/h1-6H,15H2,(H,17,18)
InChIKeyCNIZXXDZLXXRKO-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
N-(4-bromo-2-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642173
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
CID 106683097
5-bromo-N-(2-chloro-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62958134
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide (CID 62958937) is N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide is Nc1cc(Br)ccc1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide?
The InChIKey is CNIZXXDZLXXRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c13-7-1-3-10(9(15)5-7)17-12(18)11-4-2-8(14)6-16-11/h1-6H,15H2,(H,17,18).
What are the key properties of N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide?
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide has a molecular weight of 371.03 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 62958937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).