N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide

C12H6BrClFN3O3 — CID 102979345

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H6BrClFN3O3/c13-7-3-10(11(14)16-5-7)17-12(19)6-1-8(15)4-9(2-6)18(20)21/h1-5H,(H,17,19)
InChIKeyOYGIPOGJLVPUGO-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.80
Rot. Bonds3

About N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide

N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide (PubChem CID 102979345) has the molecular formula C12H6BrClFN3O3 and a molecular weight of 374.55 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide
PubChem CID102979345
Molecular FormulaC12H6BrClFN3O3
Molecular Weight374.55 g/mol
Exact Mass372.93
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H6BrClFN3O3/c13-7-3-10(11(14)16-5-7)17-12(19)6-1-8(15)4-9(2-6)18(20)21/h1-5H,(H,17,19)
InChIKeyOYGIPOGJLVPUGO-UHFFFAOYSA-N
XLogP3.80
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.80
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-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948
N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 107301004
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-5-nitrothiophene-2-carboxamide
CID 102979230
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
N-(5-bromo-6-methyl-2-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 79118710
6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
5-nitro-1-N,3-N-bis(2,4,5-trichlorophenyl)benzene-1,3-dicarboxamide
CID 3379159
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(2-chloro-5-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 102979705

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide (CID 102979345) is N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide is O=C(Nc1cc(Br)cnc1Cl)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
The InChIKey is OYGIPOGJLVPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3O3/c13-7-3-10(11(14)16-5-7)17-12(19)6-1-8(15)4-9(2-6)18(20)21/h1-5H,(H,17,19).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide?
N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide has a molecular weight of 374.55 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide is sourced from PubChem (CID 102979345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).