N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide

C14H12ClN3O3 — CID 104820207

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O3/c1-8-3-4-9(2)10(7-8)14(19)17-13-11(18(20)21)5-6-12(15)16-13/h3-7H,1-2H3,(H,16,17,19)
InChIKeyLKDTUHMYCDQBAA-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.51
Rot. Bonds3

About N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide

N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide (PubChem CID 104820207) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
PubChem CID104820207
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O3/c1-8-3-4-9(2)10(7-8)14(19)17-13-11(18(20)21)5-6-12(15)16-13/h3-7H,1-2H3,(H,16,17,19)
InChIKeyLKDTUHMYCDQBAA-UHFFFAOYSA-N
XLogP3.51
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide
CID 104820263
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
N-(6-chloro-3-nitro-2-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104820422
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide (CID 104820207) is N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide?
The InChIKey is LKDTUHMYCDQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-3-4-9(2)10(7-8)14(19)17-13-11(18(20)21)5-6-12(15)16-13/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide?
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide has a molecular weight of 305.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 104820207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).