4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline

C15H15IN2 — CID 72771992

IUPAC4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccc(I)nc2)cc1
InChIInChI=1S/C15H15IN2/c1-18(2)14-8-5-12(6-9-14)3-4-13-7-10-15(16)17-11-13/h3-11H,1-2H3
InChIKeyVZUWJJFIJCSOTE-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.92
Rot. Bonds3

About 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline

4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline (PubChem CID 72771992) has the molecular formula C15H15IN2 and a molecular weight of 350.20 g/mol. Its IUPAC name is 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline
PubChem CID72771992
Molecular FormulaC15H15IN2
Molecular Weight350.20 g/mol
Exact Mass350.03
IUPAC Name4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccc(I)nc2)cc1
InChIInChI=1S/C15H15IN2/c1-18(2)14-8-5-12(6-9-14)3-4-13-7-10-15(16)17-11-13/h3-11H,1-2H3
InChIKeyVZUWJJFIJCSOTE-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
CID 67384509
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline
CID 177390012

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline (CID 72771992) is 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2ccc(I)nc2)cc1.
What is the InChIKey of 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is VZUWJJFIJCSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2/c1-18(2)14-8-5-12(6-9-14)3-4-13-7-10-15(16)17-11-13/h3-11H,1-2H3.
What are the key properties of 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline?
4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 350.20 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 72771992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).