N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide

C12H7N5O8 — CID 110496009

IUPACN-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])cc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C12H7N5O8/c18-10-4-9(17(24)25)5-13-11(10)14-12(19)6-1-7(15(20)21)3-8(2-6)16(22)23/h1-5,18H,(H,13,14,19)
InChIKeyOHVLHWFADCSBOA-UHFFFAOYSA-N
MW349.22 g/mol
LogP1.76
Rot. Bonds5

About N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide

N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide (PubChem CID 110496009) has the molecular formula C12H7N5O8 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
PubChem CID110496009
Molecular FormulaC12H7N5O8
Molecular Weight349.22 g/mol
Exact Mass349.03
IUPAC NameN-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])cc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C12H7N5O8/c18-10-4-9(17(24)25)5-13-11(10)14-12(19)6-1-7(15(20)21)3-8(2-6)16(22)23/h1-5,18H,(H,13,14,19)
InChIKeyOHVLHWFADCSBOA-UHFFFAOYSA-N
XLogP1.76
TPSA191.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
N-(3-hydroxy-5-nitro-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 110496026
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
CID 110496062
ethane;methyl 3-[(3-hydroxy-2-pyridinyl)carbamoyl]-5-nitrobenzoate
CID 143408545
N-(3-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
CID 110496018
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dinitrobenzamide
CID 5120754
2-fluoro-5-nitropyridin-3-ol
CID 130057663
N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
CID 1099233
5-nitro-1-N,3-N-bis(2,4,5-trichlorophenyl)benzene-1,3-dicarboxamide
CID 3379159
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide?
The IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide (CID 110496009) is N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide.
What is the SMILES notation for N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide?
The canonical SMILES for N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide is O=C(Nc1ncc([N+](=O)[O-])cc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide?
The InChIKey is OHVLHWFADCSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O8/c18-10-4-9(17(24)25)5-13-11(10)14-12(19)6-1-7(15(20)21)3-8(2-6)16(22)23/h1-5,18H,(H,13,14,19).
What are the key properties of N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide?
N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide has a molecular weight of 349.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide is sourced from PubChem (CID 110496009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).