4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile

C13H9N3O4 — CID 103201670

IUPAC4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
SMILESCOc1ccc(Oc2ccnc(C#N)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9N3O4/c1-19-13-3-2-10(7-12(13)16(17)18)20-11-4-5-15-9(6-11)8-14/h2-7H,1H3
InChIKeyIKFUZGGIXBDYGZ-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.66
Rot. Bonds4

About 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile

4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile (PubChem CID 103201670) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
PubChem CID103201670
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
SMILESCOc1ccc(Oc2ccnc(C#N)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9N3O4/c1-19-13-3-2-10(7-12(13)16(17)18)20-11-4-5-15-9(6-11)8-14/h2-7H,1H3
InChIKeyIKFUZGGIXBDYGZ-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
3-(4-methoxy-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 103201652
3-bromo-5-(4-methoxy-3-nitrophenoxy)benzonitrile
CID 103201676
4-(5-chloro-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55156102
2-(4-methoxy-3-nitrophenoxy)-5-methylbenzonitrile
CID 107928276
4-(3-methyl-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55155911
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile (CID 103201670) is 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile is COc1ccc(Oc2ccnc(C#N)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile?
The InChIKey is IKFUZGGIXBDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c1-19-13-3-2-10(7-12(13)16(17)18)20-11-4-5-15-9(6-11)8-14/h2-7H,1H3.
What are the key properties of 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile?
4-(4-methoxy-3-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 4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 103201670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).