4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine

C10H10N2O2 — CID 126583837

IUPAC4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
SMILESC=C(/C=C(\C)c1ccncc1)[N+](=O)[O-]
InChIInChI=1S/C10H10N2O2/c1-8(7-9(2)12(13)14)10-3-5-11-6-4-10/h3-7H,2H2,1H3/b8-7+
InChIKeyMCRGEPMIRUPXBP-BQYQJAHWSA-N
MW190.20 g/mol
LogP2.28
Rot. Bonds3

About 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine

4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine (PubChem CID 126583837) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
PubChem CID126583837
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
SMILESC=C(/C=C(\C)c1ccncc1)[N+](=O)[O-]
InChIInChI=1S/C10H10N2O2/c1-8(7-9(2)12(13)14)10-3-5-11-6-4-10/h3-7H,2H2,1H3/b8-7+
InChIKeyMCRGEPMIRUPXBP-BQYQJAHWSA-N
XLogP2.28
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2E)-4-nitropenta-2,4-dien-2-yl]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)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
CID 121015224
4-methyl-2-nitropenta-1,3-diene
CID 143291767
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
2-pyridin-4-ylprop-1-en-1-ol
CID 136628397
3-pyridin-4-ylbut-2-enal
CID 130702758
ethyl (Z)-3-pyridin-4-ylbut-2-enoate
CID 69315754
N-(1-pyridin-4-ylethenyl)acetamide
CID 131985991
(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene
CID 143715947
N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide
CID 126816784
3-pyridin-4-ylbut-2-enenitrile
CID 76913842
(Z)-3-pyridin-4-ylbut-2-en-1-amine
CID 63970722
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine?
The IUPAC name of 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine (CID 126583837) is 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine.
What is the SMILES notation for 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine?
The canonical SMILES for 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine is C=C(/C=C(\C)c1ccncc1)[N+](=O)[O-].
What is the InChIKey of 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine?
The InChIKey is MCRGEPMIRUPXBP-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8(7-9(2)12(13)14)10-3-5-11-6-4-10/h3-7H,2H2,1H3/b8-7+.
What are the key properties of 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine?
4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine has a molecular weight of 190.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine is sourced from PubChem (CID 126583837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).