2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide

C12H6Cl3N3O3 — CID 107189329

IUPAC2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
SMILESO=C(Nc1cnccc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3O3/c13-8-1-2-16-5-10(8)17-12(19)7-3-6(18(20)21)4-9(14)11(7)15/h1-5H,(H,17,19)
InChIKeyCMGMNELYZRJTMF-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.20
Rot. Bonds3

About 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide

2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide (PubChem CID 107189329) has the molecular formula C12H6Cl3N3O3 and a molecular weight of 346.56 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
PubChem CID107189329
Molecular FormulaC12H6Cl3N3O3
Molecular Weight346.56 g/mol
Exact Mass344.95
IUPAC Name2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
SMILESO=C(Nc1cnccc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3O3/c13-8-1-2-16-5-10(8)17-12(19)7-3-6(18(20)21)4-9(14)11(7)15/h1-5H,(H,17,19)
InChIKeyCMGMNELYZRJTMF-UHFFFAOYSA-N
XLogP4.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.20
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-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
2-chloro-3,5-dinitro-N-pyridin-3-ylbenzamide
CID 4633114
2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
CID 107200117
2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 107189531
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
2,3-dichloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitrobenzamide
CID 107191806
N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
3-amino-2-chloro-N-(4-chloro-3-pyridinyl)benzamide
CID 112576138
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
2,3-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 107187504

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide (CID 107189329) is 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide is O=C(Nc1cnccc1Cl)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide?
The InChIKey is CMGMNELYZRJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3O3/c13-8-1-2-16-5-10(8)17-12(19)7-3-6(18(20)21)4-9(14)11(7)15/h1-5H,(H,17,19).
What are the key properties of 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide?
2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide has a molecular weight of 346.56 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 107189329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).