3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide

C12H6Cl2FN3O3 — CID 104820375

IUPAC3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H6Cl2FN3O3/c13-7-5-6(1-2-8(7)15)12(19)17-11-9(18(20)21)3-4-10(14)16-11/h1-5H,(H,16,17,19)
InChIKeyFMYIYBCVMPUGSA-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.69
Rot. Bonds3

About 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide

3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide (PubChem CID 104820375) has the molecular formula C12H6Cl2FN3O3 and a molecular weight of 330.10 g/mol. Its IUPAC name is 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
PubChem CID104820375
Molecular FormulaC12H6Cl2FN3O3
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H6Cl2FN3O3/c13-7-5-6(1-2-8(7)15)12(19)17-11-9(18(20)21)3-4-10(14)16-11/h1-5H,(H,16,17,19)
InChIKeyFMYIYBCVMPUGSA-UHFFFAOYSA-N
XLogP3.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.69
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-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
N-(6-chloro-3-nitro-2-pyridinyl)but-2-ynamide
CID 107996143
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide (CID 104820375) is 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide?
The InChIKey is FMYIYBCVMPUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O3/c13-7-5-6(1-2-8(7)15)12(19)17-11-9(18(20)21)3-4-10(14)16-11/h1-5H,(H,16,17,19).
What are the key properties of 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide?
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide has a molecular weight of 330.10 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 104820375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).