2-chloro-3-ethyl-5-nitropyridine

C7H7ClN2O2 — CID 86657225

IUPAC2-chloro-3-ethyl-5-nitropyridine
SMILESCCc1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-2-5-3-6(10(11)12)4-9-7(5)8/h3-4H,2H2,1H3
InChIKeyWMCGPHRPLFIPCC-UHFFFAOYSA-N
MW186.60 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-3-ethyl-5-nitropyridine

2-chloro-3-ethyl-5-nitropyridine (PubChem CID 86657225) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-chloro-3-ethyl-5-nitropyridine.

Molecular Properties

Compound Name2-chloro-3-ethyl-5-nitropyridine
PubChem CID86657225
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-chloro-3-ethyl-5-nitropyridine
SMILESCCc1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-2-5-3-6(10(11)12)4-9-7(5)8/h3-4H,2H2,1H3
InChIKeyWMCGPHRPLFIPCC-UHFFFAOYSA-N
XLogP2.21
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 52.21
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-(chloromethyl)-5-nitropyridine
CID 172831789
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
2-chloro-5-nitro-3-(trichloromethyl)pyridine
CID 135050314
2,4-dichloro-5-ethyl-3-nitropyridine
CID 112757232
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-chloro-3-(4-chlorobut-1-enyl)-5-nitropyridine
CID 170499473
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
ethyl 3-(2-chloro-5-nitro-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171866471
ethyl 3-(2-chloro-5-nitro-3-pyridinyl)prop-2-enoate
CID 169480605
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-nitropyridine-3-carboxamide
CID 103803926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-5-nitropyridine?
The IUPAC name of 2-chloro-3-ethyl-5-nitropyridine (CID 86657225) is 2-chloro-3-ethyl-5-nitropyridine.
What is the SMILES notation for 2-chloro-3-ethyl-5-nitropyridine?
The canonical SMILES for 2-chloro-3-ethyl-5-nitropyridine is CCc1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-5-nitropyridine?
The InChIKey is WMCGPHRPLFIPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-2-5-3-6(10(11)12)4-9-7(5)8/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-3-ethyl-5-nitropyridine?
2-chloro-3-ethyl-5-nitropyridine has a molecular weight of 186.60 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-5-nitropyridine is sourced from PubChem (CID 86657225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).