5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide

C13H10FN3O3 — CID 63671875

IUPAC5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
SMILESCc1cnccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3/c1-8-7-15-5-4-11(8)16-13(18)10-6-9(14)2-3-12(10)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyRHKUHUKBERUINO-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.69
Rot. Bonds3

About 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide

5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide (PubChem CID 63671875) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
PubChem CID63671875
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
SMILESCc1cnccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O3/c1-8-7-15-5-4-11(8)16-13(18)10-6-9(14)2-3-12(10)17(19)20/h2-7H,1H3,(H,15,16,18)
InChIKeyRHKUHUKBERUINO-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-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
3-amino-N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
CID 63670887
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide (CID 63671875) is 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide is Cc1cnccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide?
The InChIKey is RHKUHUKBERUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-8-7-15-5-4-11(8)16-13(18)10-6-9(14)2-3-12(10)17(19)20/h2-7H,1H3,(H,15,16,18).
What are the key properties of 5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide?
5-fluoro-N-(3-methyl-4-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-(3-methyl-4-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 63671875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).