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

C12H6Cl2FN3O3 — CID 104820349

IUPAC2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1Cl
InChIInChI=1S/C12H6Cl2FN3O3/c13-6-2-1-3-7(15)10(6)12(19)17-11-8(18(20)21)4-5-9(14)16-11/h1-5H,(H,16,17,19)
InChIKeyJIVSREFINNWQRX-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.69
Rot. Bonds3

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

2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide (PubChem CID 104820349) has the molecular formula C12H6Cl2FN3O3 and a molecular weight of 330.10 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
PubChem CID104820349
Molecular FormulaC12H6Cl2FN3O3
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1Cl
InChIInChI=1S/C12H6Cl2FN3O3/c13-6-2-1-3-7(15)10(6)12(19)17-11-8(18(20)21)4-5-9(14)16-11/h1-5H,(H,16,17,19)
InChIKeyJIVSREFINNWQRX-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)-2-fluorobenzamide
CID 115576061
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
N-(6-chloro-3-nitro-2-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104820422
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
CID 69363833
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
CID 75520228
N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 104820409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide (CID 104820349) is 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide?
The InChIKey is JIVSREFINNWQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O3/c13-6-2-1-3-7(15)10(6)12(19)17-11-8(18(20)21)4-5-9(14)16-11/h1-5H,(H,16,17,19).
What are the key properties of 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide?
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-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 2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide is sourced from PubChem (CID 104820349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).