6-chloro-2-(3-ethylphenoxy)-3-nitropyridine

C13H11ClN2O3 — CID 43330215

IUPAC6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
SMILESCCc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN2O3/c1-2-9-4-3-5-10(8-9)19-13-11(16(17)18)6-7-12(14)15-13/h3-8H,2H2,1H3
InChIKeyIRMDVUSTZSFMTB-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.00
Rot. Bonds4

About 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine

6-chloro-2-(3-ethylphenoxy)-3-nitropyridine (PubChem CID 43330215) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
PubChem CID43330215
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
SMILESCCc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN2O3/c1-2-9-4-3-5-10(8-9)19-13-11(16(17)18)6-7-12(14)15-13/h3-8H,2H2,1H3
InChIKeyIRMDVUSTZSFMTB-UHFFFAOYSA-N
XLogP4.00
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.00
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-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
[3-(2-chloro-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 114044249
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine (CID 43330215) is 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine is CCc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine?
The InChIKey is IRMDVUSTZSFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-2-9-4-3-5-10(8-9)19-13-11(16(17)18)6-7-12(14)15-13/h3-8H,2H2,1H3.
What are the key properties of 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine?
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine has a molecular weight of 278.70 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-ethylphenoxy)-3-nitropyridine is sourced from PubChem (CID 43330215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).