5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide

C12H6ClF2N3O3 — CID 103097829

IUPAC5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(F)nc1F)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClF2N3O3/c13-6-1-3-9(18(20)21)7(5-6)12(19)16-8-2-4-10(14)17-11(8)15/h1-5H,(H,16,19)
InChIKeyLIZKVKHIGDXIMG-UHFFFAOYSA-N
MW313.65 g/mol
LogP3.17
Rot. Bonds3

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

5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide (PubChem CID 103097829) has the molecular formula C12H6ClF2N3O3 and a molecular weight of 313.65 g/mol. Its IUPAC name is 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
PubChem CID103097829
Molecular FormulaC12H6ClF2N3O3
Molecular Weight313.65 g/mol
Exact Mass313.01
IUPAC Name5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(F)nc1F)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6ClF2N3O3/c13-6-1-3-9(18(20)21)7(5-6)12(19)16-8-2-4-10(14)17-11(8)15/h1-5H,(H,16,19)
InChIKeyLIZKVKHIGDXIMG-UHFFFAOYSA-N
XLogP3.17
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 53.17
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

2,4-dichloro-N-(2,6-difluoro-3-pyridinyl)benzamide
CID 103097683
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-2-nitro-N-(2-phenylphenyl)benzamide
CID 8005539
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
CID 107595832
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide (CID 103097829) is 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide is O=C(Nc1ccc(F)nc1F)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide?
The InChIKey is LIZKVKHIGDXIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O3/c13-6-1-3-9(18(20)21)7(5-6)12(19)16-8-2-4-10(14)17-11(8)15/h1-5H,(H,16,19).
What are the key properties of 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide?
5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide has a molecular weight of 313.65 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 103097829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).