3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide

C12H7ClN4O5 — CID 11834512

IUPAC3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H7ClN4O5/c13-9-5-7(1-3-10(9)17(21)22)12(18)15-11-4-2-8(6-14-11)16(19)20/h1-6H,(H,14,15,18)
InChIKeyWTFHOPWBGSPUKH-UHFFFAOYSA-N
MW322.66 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide

3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide (PubChem CID 11834512) has the molecular formula C12H7ClN4O5 and a molecular weight of 322.66 g/mol. Its IUPAC name is 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
PubChem CID11834512
Molecular FormulaC12H7ClN4O5
Molecular Weight322.66 g/mol
Exact Mass322.01
IUPAC Name3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H7ClN4O5/c13-9-5-7(1-3-10(9)17(21)22)12(18)15-11-4-2-8(6-14-11)16(19)20/h1-6H,(H,14,15,18)
InChIKeyWTFHOPWBGSPUKH-UHFFFAOYSA-N
XLogP2.80
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
CID 3590606
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide (CID 11834512) is 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide?
The InChIKey is WTFHOPWBGSPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O5/c13-9-5-7(1-3-10(9)17(21)22)12(18)15-11-4-2-8(6-14-11)16(19)20/h1-6H,(H,14,15,18).
What are the key properties of 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide?
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide has a molecular weight of 322.66 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 11834512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).