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

C13H11FN4O3 — CID 79233095

IUPAC5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C13H11FN4O3/c1-7-4-8(2-3-16-7)17-13(19)9-5-11(15)10(14)6-12(9)18(20)21/h2-6H,15H2,1H3,(H,16,17,19)
InChIKeyUAOYFEZHGWKGNC-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.27
Rot. Bonds3

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

5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide (PubChem CID 79233095) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
PubChem CID79233095
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
SMILESCc1cc(NC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C13H11FN4O3/c1-7-4-8(2-3-16-7)17-13(19)9-5-11(15)10(14)6-12(9)18(20)21/h2-6H,15H2,1H3,(H,16,17,19)
InChIKeyUAOYFEZHGWKGNC-UHFFFAOYSA-N
XLogP2.27
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
CID 62154161
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
CID 62155395
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-2-nitrobenzamide
CID 62185341
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
2-chloro-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 78955439
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
5-amino-4-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 62185312

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide (CID 79233095) is 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide is Cc1cc(NC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])ccn1.
What is the InChIKey of 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide?
The InChIKey is UAOYFEZHGWKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-7-4-8(2-3-16-7)17-13(19)9-5-11(15)10(14)6-12(9)18(20)21/h2-6H,15H2,1H3,(H,16,17,19).
What are the key properties of 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide?
5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 79233095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).