(Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile

C14H9N3O2 — CID 6011838

IUPAC(Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C14H9N3O2/c15-10-12(14-6-1-2-7-16-14)8-11-4-3-5-13(9-11)17(18)19/h1-9H/b12-8+
InChIKeyGFYPGWYNUWMVPC-XYOKQWHBSA-N
MW251.25 g/mol
LogP3.05
Rot. Bonds3

About (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 6011838) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID6011838
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name(Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C14H9N3O2/c15-10-12(14-6-1-2-7-16-14)8-11-4-3-5-13(9-11)17(18)19/h1-9H/b12-8+
InChIKeyGFYPGWYNUWMVPC-XYOKQWHBSA-N
XLogP3.05
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile (CID 6011838) is (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccn1.
What is the InChIKey of (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is GFYPGWYNUWMVPC-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H9N3O2/c15-10-12(14-6-1-2-7-16-14)8-11-4-3-5-13(9-11)17(18)19/h1-9H/b12-8+.
What are the key properties of (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 251.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-nitrophenyl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 6011838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).