6-(2-nitrophenoxy)pyridine-2-carbonitrile

C12H7N3O3 — CID 64596158

IUPAC6-(2-nitrophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H7N3O3/c13-8-9-4-3-7-12(14-9)18-11-6-2-1-5-10(11)15(16)17/h1-7H
InChIKeyMAEPHZOVDIAJED-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.65
Rot. Bonds3

About 6-(2-nitrophenoxy)pyridine-2-carbonitrile

6-(2-nitrophenoxy)pyridine-2-carbonitrile (PubChem CID 64596158) has the molecular formula C12H7N3O3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 6-(2-nitrophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-nitrophenoxy)pyridine-2-carbonitrile
PubChem CID64596158
Molecular FormulaC12H7N3O3
Molecular Weight241.21 g/mol
Exact Mass241.05
IUPAC Name6-(2-nitrophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H7N3O3/c13-8-9-4-3-7-12(14-9)18-11-6-2-1-5-10(11)15(16)17/h1-7H
InChIKeyMAEPHZOVDIAJED-UHFFFAOYSA-N
XLogP2.65
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-(2,4-dimethyl-6-nitrophenoxy)pyridine-2-carbonitrile
CID 64593817
6-(4-bromo-2-methyl-6-nitrophenoxy)pyridine-2-carbonitrile
CID 79843012
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
3-(2-nitrophenoxy)benzonitrile
CID 9194888
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
CID 174798016
6-(2-nitrophenyl)sulfanylpyridine-2-carbonitrile
CID 64595786
3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-chloro-4-(2-nitrophenoxy)benzonitrile
CID 62947163
5-fluoro-2-(2-nitrophenoxy)benzonitrile
CID 63668372
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-nitrophenoxy)pyridine-2-carbonitrile (CID 64596158) is 6-(2-nitrophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-nitrophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-nitrophenoxy)pyridine-2-carbonitrile is N#Cc1cccc(Oc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-(2-nitrophenoxy)pyridine-2-carbonitrile?
The InChIKey is MAEPHZOVDIAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3/c13-8-9-4-3-7-12(14-9)18-11-6-2-1-5-10(11)15(16)17/h1-7H.
What are the key properties of 6-(2-nitrophenoxy)pyridine-2-carbonitrile?
6-(2-nitrophenoxy)pyridine-2-carbonitrile has a molecular weight of 241.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 64596158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).