2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide

C12H7Br2N3O3 — CID 103931944

IUPAC2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cccnc1Br
InChIInChI=1S/C12H7Br2N3O3/c13-9-6-7(3-4-10(9)17(19)20)16-12(18)8-2-1-5-15-11(8)14/h1-6H,(H,16,18)
InChIKeyCYJSBBQXKMRHFZ-UHFFFAOYSA-N
MW401.01 g/mol
LogP3.77
Rot. Bonds3

About 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide

2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 103931944) has the molecular formula C12H7Br2N3O3 and a molecular weight of 401.01 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
PubChem CID103931944
Molecular FormulaC12H7Br2N3O3
Molecular Weight401.01 g/mol
Exact Mass398.89
IUPAC Name2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cccnc1Br
InChIInChI=1S/C12H7Br2N3O3/c13-9-6-7(3-4-10(9)17(19)20)16-12(18)8-2-1-5-15-11(8)14/h1-6H,(H,16,18)
InChIKeyCYJSBBQXKMRHFZ-UHFFFAOYSA-N
XLogP3.77
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.01
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-bromo-3-nitrophenyl)pyridine-3-carboxamide
CID 79767789
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
3-bromo-N-(3-bromo-4-nitrophenyl)-2-methylbenzamide
CID 82865786
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
CID 82865202
N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 82864413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide (CID 103931944) is 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is CYJSBBQXKMRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3O3/c13-9-6-7(3-4-10(9)17(19)20)16-12(18)8-2-1-5-15-11(8)14/h1-6H,(H,16,18).
What are the key properties of 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide?
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 401.01 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103931944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).