6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine

C12H17ClN2O6 — CID 104561286

IUPAC6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
SMILESCOCCOCCOCCOc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17ClN2O6/c1-18-4-5-19-6-7-20-8-9-21-12-10(15(16)17)2-3-11(13)14-12/h2-3H,4-9H2,1H3
InChIKeyWPKNYELWWRHUSZ-UHFFFAOYSA-N
MW320.73 g/mol
LogP1.70
Rot. Bonds11

About 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine

6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine (PubChem CID 104561286) has the molecular formula C12H17ClN2O6 and a molecular weight of 320.73 g/mol. Its IUPAC name is 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
PubChem CID104561286
Molecular FormulaC12H17ClN2O6
Molecular Weight320.73 g/mol
Exact Mass320.08
IUPAC Name6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
SMILESCOCCOCCOCCOc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17ClN2O6/c1-18-4-5-19-6-7-20-8-9-21-12-10(15(16)17)2-3-11(13)14-12/h2-3H,4-9H2,1H3
InChIKeyWPKNYELWWRHUSZ-UHFFFAOYSA-N
XLogP1.70
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
N-[2-[(6-chloro-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505475
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
[1-[(6-chloro-3-nitro-2-pyridinyl)oxy]-4,4-dimethylpentan-3-yl] carbamate
CID 175510540
methyl 6-(3-methoxypropoxy)-5-nitropyridine-2-carboxylate
CID 114403240
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine?
The IUPAC name of 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine (CID 104561286) is 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine?
The canonical SMILES for 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine is COCCOCCOCCOc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine?
The InChIKey is WPKNYELWWRHUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O6/c1-18-4-5-19-6-7-20-8-9-21-12-10(15(16)17)2-3-11(13)14-12/h2-3H,4-9H2,1H3.
What are the key properties of 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine?
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine has a molecular weight of 320.73 g/mol, XLogP of 1.70, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine is sourced from PubChem (CID 104561286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).