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

C12H9ClN4O3 — CID 103094802

IUPAC4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2ncccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O3/c13-8-2-1-5-15-11(8)16-12(18)7-3-4-9(14)10(6-7)17(19)20/h1-6H,14H2,(H,15,16,18)
InChIKeyLMIJWTFXQXLLJE-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.48
Rot. Bonds3

About 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide

4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide (PubChem CID 103094802) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
PubChem CID103094802
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC Name4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2ncccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O3/c13-8-2-1-5-15-11(8)16-12(18)7-3-4-9(14)10(6-7)17(19)20/h1-6H,14H2,(H,15,16,18)
InChIKeyLMIJWTFXQXLLJE-UHFFFAOYSA-N
XLogP2.48
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960
N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62152357
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
4-amino-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389514
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
CID 30159469

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide (CID 103094802) is 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide is Nc1ccc(C(=O)Nc2ncccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide?
The InChIKey is LMIJWTFXQXLLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-8-2-1-5-15-11(8)16-12(18)7-3-4-9(14)10(6-7)17(19)20/h1-6H,14H2,(H,15,16,18).
What are the key properties of 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide?
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide has a molecular weight of 292.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 103094802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).