3-bromo-N-(4-nitro-2-pyridinyl)benzamide

C12H8BrN3O3 — CID 3011463

IUPAC3-bromo-N-(4-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccn1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrN3O3/c13-9-3-1-2-8(6-9)12(17)15-11-7-10(16(18)19)4-5-14-11/h1-7H,(H,14,15,17)
InChIKeyZEJMJRKSMVNCRB-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.00
Rot. Bonds3

About 3-bromo-N-(4-nitro-2-pyridinyl)benzamide

3-bromo-N-(4-nitro-2-pyridinyl)benzamide (PubChem CID 3011463) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 3-bromo-N-(4-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-nitro-2-pyridinyl)benzamide
PubChem CID3011463
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name3-bromo-N-(4-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccn1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrN3O3/c13-9-3-1-2-8(6-9)12(17)15-11-7-10(16(18)19)4-5-14-11/h1-7H,(H,14,15,17)
InChIKeyZEJMJRKSMVNCRB-UHFFFAOYSA-N
XLogP3.00
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
CID 82343569
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide
CID 157043039
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
CID 150802976
N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
CID 1099233
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
3-bromo-N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
CID 25424854

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-nitro-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-N-(4-nitro-2-pyridinyl)benzamide (CID 3011463) is 3-bromo-N-(4-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-nitro-2-pyridinyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-nitro-2-pyridinyl)benzamide?
The InChIKey is ZEJMJRKSMVNCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-9-3-1-2-8(6-9)12(17)15-11-7-10(16(18)19)4-5-14-11/h1-7H,(H,14,15,17).
What are the key properties of 3-bromo-N-(4-nitro-2-pyridinyl)benzamide?
3-bromo-N-(4-nitro-2-pyridinyl)benzamide has a molecular weight of 322.12 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 3011463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).