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

C12H10N2O3 — CID 59712225

IUPAC2-methyl-5-(3-nitrophenoxy)pyridine
SMILESCc1ccc(Oc2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H10N2O3/c1-9-5-6-12(8-13-9)17-11-4-2-3-10(7-11)14(15)16/h2-8H,1H3
InChIKeyFTVHWKBSGKUPLK-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-5-(3-nitrophenoxy)pyridine

2-methyl-5-(3-nitrophenoxy)pyridine (PubChem CID 59712225) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methyl-5-(3-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-methyl-5-(3-nitrophenoxy)pyridine
PubChem CID59712225
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-methyl-5-(3-nitrophenoxy)pyridine
SMILESCc1ccc(Oc2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H10N2O3/c1-9-5-6-12(8-13-9)17-11-4-2-3-10(7-11)14(15)16/h2-8H,1H3
InChIKeyFTVHWKBSGKUPLK-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

methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
CID 58968821
3-methyl-5-(3-nitrophenoxy)pyridine
CID 23023073
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
1-(chloromethyl)-2-methyl-4-(3-nitrophenoxy)benzene
CID 62129985
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
6-methyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 62701074
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-nitrophenoxy)pyridine?
The IUPAC name of 2-methyl-5-(3-nitrophenoxy)pyridine (CID 59712225) is 2-methyl-5-(3-nitrophenoxy)pyridine.
What is the SMILES notation for 2-methyl-5-(3-nitrophenoxy)pyridine?
The canonical SMILES for 2-methyl-5-(3-nitrophenoxy)pyridine is Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 2-methyl-5-(3-nitrophenoxy)pyridine?
The InChIKey is FTVHWKBSGKUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-9-5-6-12(8-13-9)17-11-4-2-3-10(7-11)14(15)16/h2-8H,1H3.
What are the key properties of 2-methyl-5-(3-nitrophenoxy)pyridine?
2-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 2-methyl-5-(3-nitrophenoxy)pyridine is sourced from PubChem (CID 59712225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).