2-(4-methoxyphenoxy)-3-nitropyridine

C12H10N2O4 — CID 2775040

IUPAC2-(4-methoxyphenoxy)-3-nitropyridine
SMILESCOc1ccc(Oc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O4/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChIKeyRRWDAVSBLSUVEI-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.79
Rot. Bonds4

About 2-(4-methoxyphenoxy)-3-nitropyridine

2-(4-methoxyphenoxy)-3-nitropyridine (PubChem CID 2775040) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-3-nitropyridine
PubChem CID2775040
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(4-methoxyphenoxy)-3-nitropyridine
SMILESCOc1ccc(Oc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O4/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChIKeyRRWDAVSBLSUVEI-UHFFFAOYSA-N
XLogP2.79
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Hydroxyethoxy)-5-nitropyridine
CID 587937
2-(4-Fluorophenoxy)-3-nitropyridine
CID 2737458
3-Amino-2-(4-fluorophenoxy)pyridine
CID 2735921
6-Phenoxy-3-pyridinamine
CID 212856
2-(2,4-Difluorophenoxy)-3-pyridinamine
CID 2735906
2-(2,4-Difluorophenoxy)-3-nitropyridine
CID 2737038
2-(2-Fluorophenoxy)-3-nitropyridine
CID 2737457
2-Methoxy-5-nitropyridine
CID 79525
2-Methoxy-3-nitropyridine
CID 253219
5-Nitro-2-(3-pyridyloxy)pyridine
CID 272939
2-(4-Benzyloxyphenoxy)-5-nitropyridine
CID 2799698
N-(4-methoxyphenyl)-3-nitropyridin-4-amine
CID 2944858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-3-nitropyridine?
The IUPAC name of 2-(4-methoxyphenoxy)-3-nitropyridine (CID 2775040) is 2-(4-methoxyphenoxy)-3-nitropyridine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-3-nitropyridine?
The canonical SMILES for 2-(4-methoxyphenoxy)-3-nitropyridine is COc1ccc(Oc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-3-nitropyridine?
The InChIKey is RRWDAVSBLSUVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-9-4-6-10(7-5-9)18-12-11(14(15)16)3-2-8-13-12/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-3-nitropyridine?
2-(4-methoxyphenoxy)-3-nitropyridine has a molecular weight of 246.22 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-3-nitropyridine is sourced from PubChem (CID 2775040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).