2-chloro-5-nitro-N-pyridin-3-ylbenzamide

C12H8ClN3O3 — CID 765306

IUPAC2-chloro-5-nitro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-11-4-3-9(16(18)19)6-10(11)12(17)15-8-2-1-5-14-7-8/h1-7H,(H,15,17)
InChIKeyNYRDZHBYGCSEJA-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-5-nitro-N-pyridin-3-ylbenzamide

2-chloro-5-nitro-N-pyridin-3-ylbenzamide (PubChem CID 765306) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-pyridin-3-ylbenzamide
PubChem CID765306
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name2-chloro-5-nitro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-11-4-3-9(16(18)19)6-10(11)12(17)15-8-2-1-5-14-7-8/h1-7H,(H,15,17)
InChIKeyNYRDZHBYGCSEJA-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

2-Chloro-5-nitro-N-4-pyridinylbenzamide
CID 2777391
Ica-27243
CID 9903497
Pyridine, 3-(p-nitrobenzamido)-
CID 83332
Benzamide, 2-chloro-N-4-pyridinyl-
CID 5121684
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
2,4-dichloro-N-(pyridin-3-yl)benzamide
CID 599595
Ztz240
CID 3780776
4-chloro-N-(6-chloropyridin-3-yl)benzamide
CID 4314115
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
N-(2-chloro-5-nitrophenyl)pyridine-3-carboxamide
CID 755950
3-chloro-N-(6-chloro-3-pyridinyl)-4-fluorobenzamide
CID 9903944
N-(4-Chlorophenyl)isonicotinamide
CID 571578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-nitro-N-pyridin-3-ylbenzamide (CID 765306) is 2-chloro-5-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-nitro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is NYRDZHBYGCSEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-11-4-3-9(16(18)19)6-10(11)12(17)15-8-2-1-5-14-7-8/h1-7H,(H,15,17).
What are the key properties of 2-chloro-5-nitro-N-pyridin-3-ylbenzamide?
2-chloro-5-nitro-N-pyridin-3-ylbenzamide 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 2-chloro-5-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 765306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).