5-(4-nitrophenoxy)pyridine-2-carbonitrile

C12H7N3O3 — CID 115487944

IUPAC5-(4-nitrophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H7N3O3/c13-7-9-1-4-12(8-14-9)18-11-5-2-10(3-6-11)15(16)17/h1-6,8H
InChIKeyBLUCHXGAYSVQKQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.65
Rot. Bonds3

About 5-(4-nitrophenoxy)pyridine-2-carbonitrile

5-(4-nitrophenoxy)pyridine-2-carbonitrile (PubChem CID 115487944) has the molecular formula C12H7N3O3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 5-(4-nitrophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-nitrophenoxy)pyridine-2-carbonitrile
PubChem CID115487944
Molecular FormulaC12H7N3O3
Molecular Weight241.21 g/mol
Exact Mass241.05
IUPAC Name5-(4-nitrophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H7N3O3/c13-7-9-1-4-12(8-14-9)18-11-5-2-10(3-6-11)15(16)17/h1-6,8H
InChIKeyBLUCHXGAYSVQKQ-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

5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
CID 136990849
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
1-(4-nitrophenoxy)-4-[2-[4-(4-nitrophenoxy)phenyl]ethyl]benzene
CID 139816663
2-(4-nitrophenoxy)-1H-imidazole
CID 123256128
[4-[4-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone
CID 14344371
isothiocyanic acid;1-nitro-4-phenoxybenzene
CID 87949800
4-(4-nitrophenoxy)-N,N-diphenylaniline
CID 132556433
1,4-bis[2-[4-(4-nitrophenoxy)phenyl]propan-2-yl]benzene
CID 15217324
4-chloro-2-(4-nitrophenoxy)benzonitrile
CID 63092063

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-nitrophenoxy)pyridine-2-carbonitrile (CID 115487944) is 5-(4-nitrophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-nitrophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-nitrophenoxy)pyridine-2-carbonitrile is N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 5-(4-nitrophenoxy)pyridine-2-carbonitrile?
The InChIKey is BLUCHXGAYSVQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3/c13-7-9-1-4-12(8-14-9)18-11-5-2-10(3-6-11)15(16)17/h1-6,8H.
What are the key properties of 5-(4-nitrophenoxy)pyridine-2-carbonitrile?
5-(4-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 5-(4-nitrophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 115487944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).