3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide

C13H10FN3O3 — CID 162519913

IUPAC3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C13H10FN3O3/c1-8-4-9(6-10(14)5-8)13(18)16-12-3-2-11(7-15-12)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyXUSNDEFIYICAOE-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.69
Rot. Bonds3

About 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide

3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide (PubChem CID 162519913) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
PubChem CID162519913
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C13H10FN3O3/c1-8-4-9(6-10(14)5-8)13(18)16-12-3-2-11(7-15-12)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyXUSNDEFIYICAOE-UHFFFAOYSA-N
XLogP2.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-(5-bromo-6-methyl-2-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 79118710
N-(5-bromo-4-methyl-2-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115681603
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 47429652
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
CID 5187612

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide (CID 162519913) is 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide is Cc1cc(F)cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide?
The InChIKey is XUSNDEFIYICAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-8-4-9(6-10(14)5-8)13(18)16-12-3-2-11(7-15-12)17(19)20/h2-7H,1H3,(H,15,16,18).
What are the key properties of 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide?
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide has a molecular weight of 275.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 162519913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).