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

C12H7ClFN3O3 — CID 115576061

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C12H7ClFN3O3/c13-10-6-5-9(17(19)20)11(15-10)16-12(18)7-3-1-2-4-8(7)14/h1-6H,(H,15,16,18)
InChIKeyZVZQKCKGIOSVQA-UHFFFAOYSA-N
MW295.66 g/mol
LogP3.03
Rot. Bonds3

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

N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide (PubChem CID 115576061) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
PubChem CID115576061
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C12H7ClFN3O3/c13-10-6-5-9(17(19)20)11(15-10)16-12(18)7-3-1-2-4-8(7)14/h1-6H,(H,15,16,18)
InChIKeyZVZQKCKGIOSVQA-UHFFFAOYSA-N
XLogP3.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 53.03
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-iodobenzamide
CID 104820266
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375
(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 21448731
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
N-(2,6-dichloro-3-pyridinyl)-2-fluorobenzamide
CID 15121533
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 104820323

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide (CID 115576061) is N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is ZVZQKCKGIOSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c13-10-6-5-9(17(19)20)11(15-10)16-12(18)7-3-1-2-4-8(7)14/h1-6H,(H,15,16,18).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide?
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 295.66 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 115576061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).