5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine

C15H14ClFN2 — CID 118707602

IUPAC5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(/C=C/c2c(F)cccc2Cl)cn1
InChIInChI=1S/C15H14ClFN2/c1-19(2)15-9-7-11(10-18-15)6-8-12-13(16)4-3-5-14(12)17/h3-10H,1-2H3/b8-6+
InChIKeyVBJCHZCDERMVBG-SOFGYWHQSA-N
MW276.74 g/mol
LogP4.11
Rot. Bonds3

About 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine

5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine (PubChem CID 118707602) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine
PubChem CID118707602
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(/C=C/c2c(F)cccc2Cl)cn1
InChIInChI=1S/C15H14ClFN2/c1-19(2)15-9-7-11(10-18-15)6-8-12-13(16)4-3-5-14(12)17/h3-10H,1-2H3/b8-6+
InChIKeyVBJCHZCDERMVBG-SOFGYWHQSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine (CID 118707602) is 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(/C=C/c2c(F)cccc2Cl)cn1.
What is the InChIKey of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is VBJCHZCDERMVBG-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H14ClFN2/c1-19(2)15-9-7-11(10-18-15)6-8-12-13(16)4-3-5-14(12)17/h3-10H,1-2H3/b8-6+.
What are the key properties of 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine?
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 276.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 118707602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).