2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide

C14H12ClN3O3 — CID 122150973

IUPAC2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide
SMILESCc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C14H12ClN3O3/c1-8-6-7-11(9(2)16-8)17-14(19)13-10(15)4-3-5-12(13)18(20)21/h3-7H,1-2H3,(H,17,19)
InChIKeyNCQGVCKIZCZLOI-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide

2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide (PubChem CID 122150973) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide
PubChem CID122150973
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide
SMILESCc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C14H12ClN3O3/c1-8-6-7-11(9(2)16-8)17-14(19)13-10(15)4-3-5-12(13)18(20)21/h3-7H,1-2H3,(H,17,19)
InChIKeyNCQGVCKIZCZLOI-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381
2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
CID 103730390
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
CID 75520228
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2-chloro-6-nitrobenzoic acid
CID 170923318
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
2-chloro-N-(2-methylprop-2-enyl)-6-nitrobenzamide
CID 114618707
N-(6-chloro-2-methyl-3-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 107301433
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 106501987
2-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-nitrobenzamide
CID 107867433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide (CID 122150973) is 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide is Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)n1.
What is the InChIKey of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide?
The InChIKey is NCQGVCKIZCZLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-6-7-11(9(2)16-8)17-14(19)13-10(15)4-3-5-12(13)18(20)21/h3-7H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide?
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide 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 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide is sourced from PubChem (CID 122150973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).