[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate

C16H14ClNO2 — CID 54257350

IUPAC[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(C)nc1C=Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO2/c1-11-6-9-16(20-12(2)19)15(18-11)8-7-13-4-3-5-14(17)10-13/h3-10H,1-2H3
InChIKeyRBAGSTGJZNXVHJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.14
Rot. Bonds3

About [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate

[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate (PubChem CID 54257350) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate
PubChem CID54257350
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(C)nc1C=Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO2/c1-11-6-9-16(20-12(2)19)15(18-11)8-7-13-4-3-5-14(17)10-13/h3-10H,1-2H3
InChIKeyRBAGSTGJZNXVHJ-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate 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

2-[[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 54137444
2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-methoxy-6-methylpyridine
CID 18763226
4-azido-N-[3-[[2-[(E)-2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl]oxy]propyl]-2-hydroxybenzamide
CID 18763161
ethyl 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylate
CID 13282921
[4-chloro-2-[5-oxo-4-[(3-phenoxyphenyl)methylidene]-1,3-oxazol-2-yl]phenyl] acetate
CID 175547428
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
[4-bromo-2-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenyl] acetate
CID 69157280
[2-chloro-4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] acetate
CID 68612439
(3,4-dichlorophenyl) (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7959568
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
[2-[amino-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]phenyl] acetate
CID 67690250

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate?
The IUPAC name of [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate (CID 54257350) is [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate is CC(=O)Oc1ccc(C)nc1C=Cc1cccc(Cl)c1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate?
The InChIKey is RBAGSTGJZNXVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-11-6-9-16(20-12(2)19)15(18-11)8-7-13-4-3-5-14(17)10-13/h3-10H,1-2H3.
What are the key properties of [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate?
[2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate has a molecular weight of 287.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethenyl]-6-methyl-3-pyridinyl] acetate is sourced from PubChem (CID 54257350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).