5-nitro-2-(2-pyridin-3-ylethenyl)pyridine

C12H9N3O2 — CID 91941399

IUPAC5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
SMILESO=[N+]([O-])c1ccc(C=Cc2cccnc2)nc1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-6-5-11(14-9-12)4-3-10-2-1-7-13-8-10/h1-9H
InChIKeyXUEICLJUWXOUBS-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.56
Rot. Bonds3

About 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine

5-nitro-2-(2-pyridin-3-ylethenyl)pyridine (PubChem CID 91941399) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine.

Molecular Properties

Compound Name5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
PubChem CID91941399
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
SMILESO=[N+]([O-])c1ccc(C=Cc2cccnc2)nc1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-6-5-11(14-9-12)4-3-10-2-1-7-13-8-10/h1-9H
InChIKeyXUEICLJUWXOUBS-UHFFFAOYSA-N
XLogP2.56
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
CID 137308663
2-[3-[2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 126809089
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 53391624
formaldehyde;3-nitropyridine
CID 159977951
2-(4-nitrophenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188238
N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
CID 127265495
3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
CID 22285183
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
4-[5-[2-(5-nitro-2-pyridinyl)ethenyl]pyrimidin-2-yl]morpholine
CID 127265068
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine?
The IUPAC name of 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine (CID 91941399) is 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine.
What is the SMILES notation for 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine?
The canonical SMILES for 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine is O=[N+]([O-])c1ccc(C=Cc2cccnc2)nc1.
What is the InChIKey of 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine?
The InChIKey is XUEICLJUWXOUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-15(17)12-6-5-11(14-9-12)4-3-10-2-1-7-13-8-10/h1-9H.
What are the key properties of 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine?
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine has a molecular weight of 227.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(2-pyridin-3-ylethenyl)pyridine is sourced from PubChem (CID 91941399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).