2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine

C11H13ClN2O3 — CID 106201462

IUPAC2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(OCCC2CCC2)c1
InChIInChI=1S/C11H13ClN2O3/c12-10-6-9(14(15)16)7-11(13-10)17-5-4-8-2-1-3-8/h6-8H,1-5H2
InChIKeyRRMHJQQMLITKGZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.21
Rot. Bonds5

About 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine

2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine (PubChem CID 106201462) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
PubChem CID106201462
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(OCCC2CCC2)c1
InChIInChI=1S/C11H13ClN2O3/c12-10-6-9(14(15)16)7-11(13-10)17-5-4-8-2-1-3-8/h6-8H,1-5H2
InChIKeyRRMHJQQMLITKGZ-UHFFFAOYSA-N
XLogP3.21
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
CID 114158243
6-(2-cyclopropylethoxy)-4-nitropyridin-2-amine
CID 106207493
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
CID 114158193
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
CID 106201356
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
CID 106203574
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440
2-cyclobutylethyl 2-chloro-5-nitropyridine-4-carboxylate
CID 106206631
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
CID 114157430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine (CID 106201462) is 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(OCCC2CCC2)c1.
What is the InChIKey of 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine?
The InChIKey is RRMHJQQMLITKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-10-6-9(14(15)16)7-11(13-10)17-5-4-8-2-1-3-8/h6-8H,1-5H2.
What are the key properties of 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine?
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine has a molecular weight of 256.69 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine is sourced from PubChem (CID 106201462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).