5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine

C19H15N3O2 — CID 44552298

IUPAC5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCc1ccc(-c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cn2)nc1
InChIInChI=1S/C19H15N3O2/c1-14-2-10-18(20-12-14)19-11-7-16(13-21-19)4-3-15-5-8-17(9-6-15)22(23)24/h2-13H,1H3/b4-3+
InChIKeyMFTNFFWGJDAPAR-ONEGZZNKSA-N
MW317.35 g/mol
LogP4.53
Rot. Bonds4

About 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine

5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine (PubChem CID 44552298) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine
PubChem CID44552298
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCc1ccc(-c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cn2)nc1
InChIInChI=1S/C19H15N3O2/c1-14-2-10-18(20-12-14)19-11-7-16(13-21-19)4-3-15-5-8-17(9-6-15)22(23)24/h2-13H,1H3/b4-3+
InChIKeyMFTNFFWGJDAPAR-ONEGZZNKSA-N
XLogP4.53
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.53
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-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]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

1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoxy]benzene
CID 6377413
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225
(1E,4E)-1-(4-methylphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
CID 13188494
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1,2,3,4,5-pentafluoro-6-[2-(4-nitrophenyl)ethenyl]benzene
CID 73129158
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine (CID 44552298) is 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine is Cc1ccc(-c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cn2)nc1.
What is the InChIKey of 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine?
The InChIKey is MFTNFFWGJDAPAR-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-14-2-10-18(20-12-14)19-11-7-16(13-21-19)4-3-15-5-8-17(9-6-15)22(23)24/h2-13H,1H3/b4-3+.
What are the key properties of 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine?
5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine has a molecular weight of 317.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 44552298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).