N-(3-chloro-2-pyridinyl)-2-nitrobenzamide

C12H8ClN3O3 — CID 113347276

IUPACN-(3-chloro-2-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1ncccc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClN3O3/c13-9-5-3-7-14-11(9)15-12(17)8-4-1-2-6-10(8)16(18)19/h1-7H,(H,14,15,17)
InChIKeyDAIPIJQUYPEKSM-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.90
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2-nitrobenzamide

N-(3-chloro-2-pyridinyl)-2-nitrobenzamide (PubChem CID 113347276) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-nitrobenzamide
PubChem CID113347276
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC NameN-(3-chloro-2-pyridinyl)-2-nitrobenzamide
SMILESO=C(Nc1ncccc1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClN3O3/c13-9-5-3-7-14-11(9)15-12(17)8-4-1-2-6-10(8)16(18)19/h1-7H,(H,14,15,17)
InChIKeyDAIPIJQUYPEKSM-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-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
CID 75520228
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-nitrobenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-nitrobenzamide (CID 113347276) is N-(3-chloro-2-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-nitrobenzamide is O=C(Nc1ncccc1Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-nitrobenzamide?
The InChIKey is DAIPIJQUYPEKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-9-5-3-7-14-11(9)15-12(17)8-4-1-2-6-10(8)16(18)19/h1-7H,(H,14,15,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-nitrobenzamide?
N-(3-chloro-2-pyridinyl)-2-nitrobenzamide 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 N-(3-chloro-2-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 113347276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).