2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine

C16H18N2O5 — CID 175267147

IUPAC2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine
SMILESCCCOc1cc(Oc2ccc(COC)nc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O5/c1-3-8-22-16-9-13(6-7-15(16)18(19)20)23-14-5-4-12(11-21-2)17-10-14/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyOVRYOKRETOJZIJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.72
Rot. Bonds8

About 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine

2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine (PubChem CID 175267147) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine
PubChem CID175267147
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine
SMILESCCCOc1cc(Oc2ccc(COC)nc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O5/c1-3-8-22-16-9-13(6-7-15(16)18(19)20)23-14-5-4-12(11-21-2)17-10-14/h4-7,9-10H,3,8,11H2,1-2H3
InChIKeyOVRYOKRETOJZIJ-UHFFFAOYSA-N
XLogP3.72
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
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-propan-2-yloxyphenoxy)pyridine
CID 66885726
3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518
N-[2-(4-nitro-3-propoxyphenoxy)ethyl]propan-1-amine
CID 63677945
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
3-(4-nitro-3-propoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 63676680
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
4-(bromomethyl)-1-nitro-2-propoxybenzene
CID 62114866
4-(4-nitro-3-propoxyphenoxy)piperidine
CID 63678351
N-(1-methoxypropan-2-yl)-4-nitro-3-propoxyaniline
CID 63671759
1-nitro-4-[4-nitro-3-(2,2,2-trifluoroethoxy)phenoxy]-2-(2,2,2-trifluoroethoxy)benzene
CID 88829100
4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
CID 154676943
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine?
The IUPAC name of 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine (CID 175267147) is 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine.
What is the SMILES notation for 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine?
The canonical SMILES for 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine is CCCOc1cc(Oc2ccc(COC)nc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine?
The InChIKey is OVRYOKRETOJZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-3-8-22-16-9-13(6-7-15(16)18(19)20)23-14-5-4-12(11-21-2)17-10-14/h4-7,9-10H,3,8,11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine?
2-(methoxymethyl)-5-(4-nitro-3-propoxyphenoxy)pyridine has a molecular weight of 318.33 g/mol, XLogP of 3.72, 8 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-propoxyphenoxy)pyridine is sourced from PubChem (CID 175267147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).