N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide

C12H9FN4O3 — CID 62901689

IUPACN-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
SMILESNc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C12H9FN4O3/c13-10-3-2-8(17(19)20)5-9(10)12(18)16-7-1-4-11(14)15-6-7/h1-6H,(H2,14,15)(H,16,18)
InChIKeyFKZUECNGPBQYKV-UHFFFAOYSA-N
MW276.23 g/mol
LogP1.96
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide

N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide (PubChem CID 62901689) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
PubChem CID62901689
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC NameN-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
SMILESNc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C12H9FN4O3/c13-10-3-2-8(17(19)20)5-9(10)12(18)16-7-1-4-11(14)15-6-7/h1-6H,(H2,14,15)(H,16,18)
InChIKeyFKZUECNGPBQYKV-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
CID 103793429
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415056
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
N-[6-(1-adamantyloxy)-3-pyridinyl]-2-fluoro-5-nitrobenzamide
CID 58737217
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide (CID 62901689) is N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide is Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide?
The InChIKey is FKZUECNGPBQYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-10-3-2-8(17(19)20)5-9(10)12(18)16-7-1-4-11(14)15-6-7/h1-6H,(H2,14,15)(H,16,18).
What are the key properties of N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide?
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide 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 N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide is sourced from PubChem (CID 62901689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).