6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine

C13H11ClN2O5 — CID 61038338

IUPAC6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
SMILESCOc1cc(OC)cc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN2O5/c1-19-8-5-9(20-2)7-10(6-8)21-13-11(16(17)18)3-4-12(14)15-13/h3-7H,1-2H3
InChIKeyNIFYTVXGNPARMO-UHFFFAOYSA-N
MW310.69 g/mol
LogP3.45
Rot. Bonds5

About 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine

6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine (PubChem CID 61038338) has the molecular formula C13H11ClN2O5 and a molecular weight of 310.69 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
PubChem CID61038338
Molecular FormulaC13H11ClN2O5
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC Name6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
SMILESCOc1cc(OC)cc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN2O5/c1-19-8-5-9(20-2)7-10(6-8)21-13-11(16(17)18)3-4-12(14)15-13/h3-7H,1-2H3
InChIKeyNIFYTVXGNPARMO-UHFFFAOYSA-N
XLogP3.45
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine
CID 81341844
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine (CID 61038338) is 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine is COc1cc(OC)cc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine?
The InChIKey is NIFYTVXGNPARMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5/c1-19-8-5-9(20-2)7-10(6-8)21-13-11(16(17)18)3-4-12(14)15-13/h3-7H,1-2H3.
What are the key properties of 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine?
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine has a molecular weight of 310.69 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine is sourced from PubChem (CID 61038338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).