5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide

C13H10FN3O3 — CID 103738999

IUPAC5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
SMILESCc1cncc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3/c1-8-4-10(7-15-6-8)16-13(18)11-5-9(14)2-3-12(11)17(19)20/h2-7H,1H3,(H,16,18)
InChIKeyVYEDGQAYMGYHDK-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.69
Rot. Bonds3

About 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide

5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide (PubChem CID 103738999) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
PubChem CID103738999
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
SMILESCc1cncc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3/c1-8-4-10(7-15-6-8)16-13(18)11-5-9(14)2-3-12(11)17(19)20/h2-7H,1H3,(H,16,18)
InChIKeyVYEDGQAYMGYHDK-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

5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
CID 104773290
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluoro-2-nitrobenzamide
CID 60877333

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide (CID 103738999) is 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide is Cc1cncc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
The InChIKey is VYEDGQAYMGYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-8-4-10(7-15-6-8)16-13(18)11-5-9(14)2-3-12(11)17(19)20/h2-7H,1H3,(H,16,18).
What are the key properties of 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide?
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide 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 5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 103738999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).