2,4-dichloro-5-ethyl-3-nitropyridine

C7H6Cl2N2O2 — CID 112757232

IUPAC2,4-dichloro-5-ethyl-3-nitropyridine
SMILESCCc1cnc(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-2-4-3-10-7(9)6(5(4)8)11(12)13/h3H,2H2,1H3
InChIKeyNSPDKLHUHGVILO-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.86
Rot. Bonds2

About 2,4-dichloro-5-ethyl-3-nitropyridine

2,4-dichloro-5-ethyl-3-nitropyridine (PubChem CID 112757232) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2,4-dichloro-5-ethyl-3-nitropyridine.

Molecular Properties

Compound Name2,4-dichloro-5-ethyl-3-nitropyridine
PubChem CID112757232
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name2,4-dichloro-5-ethyl-3-nitropyridine
SMILESCCc1cnc(Cl)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-2-4-3-10-7(9)6(5(4)8)11(12)13/h3H,2H2,1H3
InChIKeyNSPDKLHUHGVILO-UHFFFAOYSA-N
XLogP2.86
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.86
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

2-chloro-3-ethyl-5-nitropyridine
CID 86657225
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711
2-chloro-3-nitro-4-propoxypyridine
CID 160997420
5-bromo-2-chloro-N-methyl-3-nitropyridin-4-amine
CID 118990099
2-chloro-5-methyl-3-nitropyridine
CID 139082293
3-(6-chloro-4-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474164
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
3-amino-1-(6-chloro-4-methyl-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170828651
5-(4-bromobut-1-ynyl)-2-chloro-4-methyl-3-nitropyridine
CID 170466692
ethyl 6-chloro-5-nitro-4-prop-1-en-2-ylpyridine-3-carboxylate
CID 163367194
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol
CID 170477151

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-ethyl-3-nitropyridine?
The IUPAC name of 2,4-dichloro-5-ethyl-3-nitropyridine (CID 112757232) is 2,4-dichloro-5-ethyl-3-nitropyridine.
What is the SMILES notation for 2,4-dichloro-5-ethyl-3-nitropyridine?
The canonical SMILES for 2,4-dichloro-5-ethyl-3-nitropyridine is CCc1cnc(Cl)c([N+](=O)[O-])c1Cl.
What is the InChIKey of 2,4-dichloro-5-ethyl-3-nitropyridine?
The InChIKey is NSPDKLHUHGVILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-2-4-3-10-7(9)6(5(4)8)11(12)13/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-5-ethyl-3-nitropyridine?
2,4-dichloro-5-ethyl-3-nitropyridine has a molecular weight of 221.04 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-ethyl-3-nitropyridine is sourced from PubChem (CID 112757232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).