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

C12H8ClN3O3 — CID 3011452

IUPAC4-chloro-N-(4-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O3/c13-9-3-1-8(2-4-9)12(17)15-11-7-10(16(18)19)5-6-14-11/h1-7H,(H,14,15,17)
InChIKeyZSQOOGQJZDMAAT-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

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

4-chloro-N-(4-nitro-2-pyridinyl)benzamide (PubChem CID 3011452) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 4-chloro-N-(4-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-nitro-2-pyridinyl)benzamide
PubChem CID3011452
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name4-chloro-N-(4-nitro-2-pyridinyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O3/c13-9-3-1-8(2-4-9)12(17)15-11-7-10(16(18)19)5-6-14-11/h1-7H,(H,14,15,17)
InChIKeyZSQOOGQJZDMAAT-UHFFFAOYSA-N
XLogP2.90
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343541
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
CID 82343569
2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 4234801
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
4-chloro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 2797850
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(4-chloro-2-pyridinyl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 104820971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-nitro-2-pyridinyl)benzamide?
The IUPAC name of 4-chloro-N-(4-nitro-2-pyridinyl)benzamide (CID 3011452) is 4-chloro-N-(4-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-nitro-2-pyridinyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-nitro-2-pyridinyl)benzamide?
The InChIKey is ZSQOOGQJZDMAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-9-3-1-8(2-4-9)12(17)15-11-7-10(16(18)19)5-6-14-11/h1-7H,(H,14,15,17).
What are the key properties of 4-chloro-N-(4-nitro-2-pyridinyl)benzamide?
4-chloro-N-(4-nitro-2-pyridinyl)benzamide has a molecular weight of 277.67 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 3011452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).