3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide

C12H8FN3O4 — CID 110495932

IUPAC3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])cc1O)c1cccc(F)c1
InChIInChI=1S/C12H8FN3O4/c13-8-3-1-2-7(4-8)12(18)15-11-10(17)5-9(6-14-11)16(19)20/h1-6,17H,(H,14,15,18)
InChIKeyROSJMNJGTJWNJR-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.09
Rot. Bonds3

About 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide

3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide (PubChem CID 110495932) has the molecular formula C12H8FN3O4 and a molecular weight of 277.21 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
PubChem CID110495932
Molecular FormulaC12H8FN3O4
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])cc1O)c1cccc(F)c1
InChIInChI=1S/C12H8FN3O4/c13-8-3-1-2-7(4-8)12(18)15-11-10(17)5-9(6-14-11)16(19)20/h1-6,17H,(H,14,15,18)
InChIKeyROSJMNJGTJWNJR-UHFFFAOYSA-N
XLogP2.09
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 52.09
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-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
CID 110496009
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 110496026
N-(3-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
CID 1099233
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
CID 110496018
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
CID 110496062
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
2-fluoro-5-nitropyridin-3-ol
CID 130057663

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide (CID 110495932) is 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide is O=C(Nc1ncc([N+](=O)[O-])cc1O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide?
The InChIKey is ROSJMNJGTJWNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4/c13-8-3-1-2-7(4-8)12(18)15-11-10(17)5-9(6-14-11)16(19)20/h1-6,17H,(H,14,15,18).
What are the key properties of 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide?
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide has a molecular weight of 277.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 110495932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).