2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine

C16H18N2O5 — CID 66885726

IUPAC2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine
SMILESCOCc1ccc(Oc2ccc([N+](=O)[O-])c(OC(C)C)c2)cn1
InChIInChI=1S/C16H18N2O5/c1-11(2)22-16-8-13(6-7-15(16)18(19)20)23-14-5-4-12(10-21-3)17-9-14/h4-9,11H,10H2,1-3H3
InChIKeyLMNWABZZOGKDIZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.72
Rot. Bonds7

About 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine

2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine (PubChem CID 66885726) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine
PubChem CID66885726
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine
SMILESCOCc1ccc(Oc2ccc([N+](=O)[O-])c(OC(C)C)c2)cn1
InChIInChI=1S/C16H18N2O5/c1-11(2)22-16-8-13(6-7-15(16)18(19)20)23-14-5-4-12(10-21-3)17-9-14/h4-9,11H,10H2,1-3H3
InChIKeyLMNWABZZOGKDIZ-UHFFFAOYSA-N
XLogP3.72
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine
CID 175267147
3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
CID 83003295
N-methyl-2-(4-nitro-3-propan-2-yloxyphenoxy)ethanamine
CID 83013249
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321
(4-nitro-3-propan-2-yloxyphenyl)hydrazine
CID 83002210
4-(bromomethyl)-1-nitro-2-propan-2-yloxybenzene
CID 62115041
4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
CID 154676943
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940569
4-(2-chloro-3-methoxypropyl)-1-nitro-2-propan-2-yloxybenzene
CID 83013415
4-(2-bromo-3-methoxypropyl)-1-nitro-2-propan-2-yloxybenzene
CID 83013499

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine?
The IUPAC name of 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine (CID 66885726) is 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine.
What is the SMILES notation for 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine?
The canonical SMILES for 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine is COCc1ccc(Oc2ccc([N+](=O)[O-])c(OC(C)C)c2)cn1.
What is the InChIKey of 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine?
The InChIKey is LMNWABZZOGKDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11(2)22-16-8-13(6-7-15(16)18(19)20)23-14-5-4-12(10-21-3)17-9-14/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine?
2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine has a molecular weight of 318.33 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(4-nitro-3-propan-2-yloxyphenoxy)pyridine is sourced from PubChem (CID 66885726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).