N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide

C12H7BrFN3O3 — CID 103819257

IUPACN-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
SMILESO=C(Nc1cccnc1Br)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H7BrFN3O3/c13-11-10(2-1-5-15-11)16-12(18)8-4-3-7(17(19)20)6-9(8)14/h1-6H,(H,16,18)
InChIKeyCZTXCGIKMSHNGX-UHFFFAOYSA-N
MW340.11 g/mol
LogP3.14
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide

N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide (PubChem CID 103819257) has the molecular formula C12H7BrFN3O3 and a molecular weight of 340.11 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
PubChem CID103819257
Molecular FormulaC12H7BrFN3O3
Molecular Weight340.11 g/mol
Exact Mass338.97
IUPAC NameN-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
SMILESO=C(Nc1cccnc1Br)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H7BrFN3O3/c13-11-10(2-1-5-15-11)16-12(18)8-4-3-7(17(19)20)6-9(8)14/h1-6H,(H,16,18)
InChIKeyCZTXCGIKMSHNGX-UHFFFAOYSA-N
XLogP3.14
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.11
LogP ≤ 53.14
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

N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
CID 102989137
4-amino-N-(2-bromo-5-nitrophenyl)-2-fluorobenzamide
CID 107794756
2,4-dibromo-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103886519
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
N-(4-bromo-3-methylphenyl)-2-fluoro-4-nitrobenzamide
CID 61038158
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide (CID 103819257) is N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide is O=C(Nc1cccnc1Br)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide?
The InChIKey is CZTXCGIKMSHNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O3/c13-11-10(2-1-5-15-11)16-12(18)8-4-3-7(17(19)20)6-9(8)14/h1-6H,(H,16,18).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide?
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide has a molecular weight of 340.11 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide is sourced from PubChem (CID 103819257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).