3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile

C13H9N3O4 — CID 102702690

IUPAC3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cccnc2C#N)c1
InChIInChI=1S/C13H9N3O4/c1-19-9-4-5-11(16(17)18)13(7-9)20-12-3-2-6-15-10(12)8-14/h2-7H,1H3
InChIKeyLSMDWPCVFUGULO-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.66
Rot. Bonds4

About 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile

3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile (PubChem CID 102702690) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile
PubChem CID102702690
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cccnc2C#N)c1
InChIInChI=1S/C13H9N3O4/c1-19-9-4-5-11(16(17)18)13(7-9)20-12-3-2-6-15-10(12)8-14/h2-7H,1H3
InChIKeyLSMDWPCVFUGULO-UHFFFAOYSA-N
XLogP2.66
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.66
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

3-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201672
1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 102702889
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
3-(2-bromo-4-methoxyphenoxy)-4-nitrobenzonitrile
CID 104713265
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
2-(4-fluoro-2-nitrophenoxy)-4-methoxybenzonitrile
CID 81297307
[4-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102703909
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
4-methoxy-1-nitro-2-prop-2-ynoxybenzene
CID 102703166

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile (CID 102702690) is 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile is COc1ccc([N+](=O)[O-])c(Oc2cccnc2C#N)c1.
What is the InChIKey of 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile?
The InChIKey is LSMDWPCVFUGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c1-19-9-4-5-11(16(17)18)13(7-9)20-12-3-2-6-15-10(12)8-14/h2-7H,1H3.
What are the key properties of 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile?
3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile has a molecular weight of 271.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 102702690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).