2-chloro-4-nitro-N-pyridin-2-ylbenzamide

C12H8ClN3O3 — CID 3552048

IUPAC2-chloro-4-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-10-7-8(16(18)19)4-5-9(10)12(17)15-11-3-1-2-6-14-11/h1-7H,(H,14,15,17)
InChIKeyXGPUXKZIFSNHJV-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-4-nitro-N-pyridin-2-ylbenzamide

2-chloro-4-nitro-N-pyridin-2-ylbenzamide (PubChem CID 3552048) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-pyridin-2-ylbenzamide
PubChem CID3552048
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name2-chloro-4-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-10-7-8(16(18)19)4-5-9(10)12(17)15-11-3-1-2-6-14-11/h1-7H,(H,14,15,17)
InChIKeyXGPUXKZIFSNHJV-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

4-Aminobenzamidopyridine
CID 81976
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
2,6-Dichloro-N-[2-({[(1r,2r)-2-Fluorocyclopropyl]carbonyl}amino)pyridin-4-Yl]benzamide
CID 59618368
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2-chloro-4-nitro-N-(pyrimidin-2-yl)benzamide
CID 762937
(2-Chloro-5-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 881100
4-Nitro-N-pyrimidin-2-yl-benzamide
CID 235802
Benzamide, 4-(acetylamino)-N-2-pyridinyl-
CID 215925
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
Benzamide, 4-nitro-N-2-pyridinyl-
CID 101345
N-[2-[[(5-chloro-2-pyridinyl)amino]methyl]phenyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 44449404
2-chloro-4,5-difluoro-N-(5-methylpyridin-2-yl)benzamide
CID 878799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-4-nitro-N-pyridin-2-ylbenzamide (CID 3552048) is 2-chloro-4-nitro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-4-nitro-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-pyridin-2-ylbenzamide?
The InChIKey is XGPUXKZIFSNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-10-7-8(16(18)19)4-5-9(10)12(17)15-11-3-1-2-6-14-11/h1-7H,(H,14,15,17).
What are the key properties of 2-chloro-4-nitro-N-pyridin-2-ylbenzamide?
2-chloro-4-nitro-N-pyridin-2-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-4-nitro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 3552048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).