5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide

C12H9FN4O3 — CID 62154161

IUPAC5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
SMILESNc1cc(C(=O)Nc2ccccn2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H9FN4O3/c13-8-6-10(17(19)20)7(5-9(8)14)12(18)16-11-3-1-2-4-15-11/h1-6H,14H2,(H,15,16,18)
InChIKeyHCDFTAUHBKJJRR-UHFFFAOYSA-N
MW276.23 g/mol
LogP1.96
Rot. Bonds3

About 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide

5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide (PubChem CID 62154161) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
PubChem CID62154161
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
SMILESNc1cc(C(=O)Nc2ccccn2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H9FN4O3/c13-8-6-10(17(19)20)7(5-9(8)14)12(18)16-11-3-1-2-4-15-11/h1-6H,14H2,(H,15,16,18)
InChIKeyHCDFTAUHBKJJRR-UHFFFAOYSA-N
XLogP1.96
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 51.96
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

4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
CID 62155395
5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
CID 79233095
5-amino-4-fluoro-2-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914404
4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 63235900
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
CID 63328476
2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
CID 4027518
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-2-nitrobenzamide
CID 62185341
5-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-2-nitrobenzamide
CID 104829906
5-amino-N-butan-2-yl-4-fluoro-2-nitrobenzamide
CID 55043102

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide?
The IUPAC name of 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide (CID 62154161) is 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide is Nc1cc(C(=O)Nc2ccccn2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide?
The InChIKey is HCDFTAUHBKJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-8-6-10(17(19)20)7(5-9(8)14)12(18)16-11-3-1-2-4-15-11/h1-6H,14H2,(H,15,16,18).
What are the key properties of 5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide?
5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide has a molecular weight of 276.23 g/mol, XLogP of 1.96, 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-2-nitro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 62154161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).