6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine

C13H11ClN2O4 — CID 43330207

IUPAC6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1OCCOc1ccccc1
InChIInChI=1S/C13H11ClN2O4/c14-12-7-6-11(16(17)18)13(15-12)20-9-8-19-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyOBIHDAIUZOOHOB-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.10
Rot. Bonds6

About 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine

6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine (PubChem CID 43330207) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
PubChem CID43330207
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1OCCOc1ccccc1
InChIInChI=1S/C13H11ClN2O4/c14-12-7-6-11(16(17)18)13(15-12)20-9-8-19-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyOBIHDAIUZOOHOB-UHFFFAOYSA-N
XLogP3.10
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
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-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
CID 78976905
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
[1-[(6-chloro-3-nitro-2-pyridinyl)oxy]-4,4-dimethylpentan-3-yl] carbamate
CID 175510540

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine?
The IUPAC name of 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine (CID 43330207) is 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine?
The canonical SMILES for 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine is O=[N+]([O-])c1ccc(Cl)nc1OCCOc1ccccc1.
What is the InChIKey of 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine?
The InChIKey is OBIHDAIUZOOHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c14-12-7-6-11(16(17)18)13(15-12)20-9-8-19-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine?
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine has a molecular weight of 294.69 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine is sourced from PubChem (CID 43330207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).