2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine

C13H11ClN2O2 — CID 114070928

IUPAC2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine
SMILESCc1cccc(-c2cc([N+](=O)[O-])cc(Cl)n2)c1C
InChIInChI=1S/C13H11ClN2O2/c1-8-4-3-5-11(9(8)2)12-6-10(16(17)18)7-13(14)15-12/h3-7H,1-2H3
InChIKeyXFDOELLUBSGFCC-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.93
Rot. Bonds2

About 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine

2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine (PubChem CID 114070928) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine
PubChem CID114070928
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine
SMILESCc1cccc(-c2cc([N+](=O)[O-])cc(Cl)n2)c1C
InChIInChI=1S/C13H11ClN2O2/c1-8-4-3-5-11(9(8)2)12-6-10(16(17)18)7-13(14)15-12/h3-7H,1-2H3
InChIKeyXFDOELLUBSGFCC-UHFFFAOYSA-N
XLogP3.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine (CID 114070928) is 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine is Cc1cccc(-c2cc([N+](=O)[O-])cc(Cl)n2)c1C.
What is the InChIKey of 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine?
The InChIKey is XFDOELLUBSGFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-4-3-5-11(9(8)2)12-6-10(16(17)18)7-13(14)15-12/h3-7H,1-2H3.
What are the key properties of 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine?
2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine has a molecular weight of 262.70 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dimethylphenyl)-4-nitropyridine is sourced from PubChem (CID 114070928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).