3-methyl-5-(3-nitrophenoxy)pyridine

C12H10N2O3 — CID 23023073

IUPAC3-methyl-5-(3-nitrophenoxy)pyridine
SMILESCc1cncc(Oc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H10N2O3/c1-9-5-12(8-13-7-9)17-11-4-2-3-10(6-11)14(15)16/h2-8H,1H3
InChIKeyYVDOXGRENHZTNM-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.09
Rot. Bonds3

About 3-methyl-5-(3-nitrophenoxy)pyridine

3-methyl-5-(3-nitrophenoxy)pyridine (PubChem CID 23023073) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-methyl-5-(3-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-methyl-5-(3-nitrophenoxy)pyridine
PubChem CID23023073
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-methyl-5-(3-nitrophenoxy)pyridine
SMILESCc1cncc(Oc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H10N2O3/c1-9-5-12(8-13-7-9)17-11-4-2-3-10(6-11)14(15)16/h2-8H,1H3
InChIKeyYVDOXGRENHZTNM-UHFFFAOYSA-N
XLogP3.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
1-(chloromethyl)-2-methyl-4-(3-nitrophenoxy)benzene
CID 62129985
1-(iodomethyl)-3-(3-nitrophenoxy)benzene
CID 166790575
methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
CID 58968821
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole
CID 64624692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-nitrophenoxy)pyridine?
The IUPAC name of 3-methyl-5-(3-nitrophenoxy)pyridine (CID 23023073) is 3-methyl-5-(3-nitrophenoxy)pyridine.
What is the SMILES notation for 3-methyl-5-(3-nitrophenoxy)pyridine?
The canonical SMILES for 3-methyl-5-(3-nitrophenoxy)pyridine is Cc1cncc(Oc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-methyl-5-(3-nitrophenoxy)pyridine?
The InChIKey is YVDOXGRENHZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-9-5-12(8-13-7-9)17-11-4-2-3-10(6-11)14(15)16/h2-8H,1H3.
What are the key properties of 3-methyl-5-(3-nitrophenoxy)pyridine?
3-methyl-5-(3-nitrophenoxy)pyridine has a molecular weight of 230.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-nitrophenoxy)pyridine is sourced from PubChem (CID 23023073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).