2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide

C12H7ClFN3O3 — CID 103793429

IUPAC2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H7ClFN3O3/c13-10-3-2-8(17(19)20)5-9(10)12(18)16-7-1-4-11(14)15-6-7/h1-6H,(H,16,18)
InChIKeyVOHZVTCFIFPMQM-UHFFFAOYSA-N
MW295.66 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide

2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide (PubChem CID 103793429) has the molecular formula C12H7ClFN3O3 and a molecular weight of 295.66 g/mol. Its IUPAC name is 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
PubChem CID103793429
Molecular FormulaC12H7ClFN3O3
Molecular Weight295.66 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
SMILESO=C(Nc1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H7ClFN3O3/c13-10-3-2-8(17(19)20)5-9(10)12(18)16-7-1-4-11(14)15-6-7/h1-6H,(H,16,18)
InChIKeyVOHZVTCFIFPMQM-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'}

Analyze 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-chloro-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 78955439
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-[(3,4-dichlorophenyl)carbamoyl]-4-nitrobenzoate
CID 7386526
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide (CID 103793429) is 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide is O=C(Nc1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide?
The InChIKey is VOHZVTCFIFPMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O3/c13-10-3-2-8(17(19)20)5-9(10)12(18)16-7-1-4-11(14)15-6-7/h1-6H,(H,16,18).
What are the key properties of 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide?
2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide 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 2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 103793429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).