2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine

C13H11ClN2O2 — CID 13402562

IUPAC2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
SMILESCCc1cc(-c2cccc([N+](=O)[O-])c2)cc(Cl)n1
InChIInChI=1S/C13H11ClN2O2/c1-2-11-6-10(8-13(14)15-11)9-4-3-5-12(7-9)16(17)18/h3-8H,2H2,1H3
InChIKeyBIVGKXXPDVFNNQ-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.87
Rot. Bonds3

About 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine

2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine (PubChem CID 13402562) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
PubChem CID13402562
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
SMILESCCc1cc(-c2cccc([N+](=O)[O-])c2)cc(Cl)n1
InChIInChI=1S/C13H11ClN2O2/c1-2-11-6-10(8-13(14)15-11)9-4-3-5-12(7-9)16(17)18/h3-8H,2H2,1H3
InChIKeyBIVGKXXPDVFNNQ-UHFFFAOYSA-N
XLogP3.87
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.87
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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Related Compounds

6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192344
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2-tert-butyl-4-chloro-6-(3-nitrophenyl)pyrimidine
CID 80952591
4-chloro-6-ethyl-5-methyl-2-(3-nitrophenyl)pyrimidine
CID 63548439
2-(3-nitrophenyl)-4-propyl-1,3-thiazole
CID 113239665
3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine
CID 121014556
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(chloromethyl)-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole
CID 115398128
2-chloro-4-(3-nitrophenyl)-1,3,5-triazine
CID 50998940
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine?
The IUPAC name of 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine (CID 13402562) is 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine.
What is the SMILES notation for 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine?
The canonical SMILES for 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine is CCc1cc(-c2cccc([N+](=O)[O-])c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine?
The InChIKey is BIVGKXXPDVFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-2-11-6-10(8-13(14)15-11)9-4-3-5-12(7-9)16(17)18/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine?
2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine has a molecular weight of 262.70 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine is sourced from PubChem (CID 13402562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).