2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine

C17H16Cl2N2 — CID 145483409

IUPAC2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine
SMILESC=Cc1cc(C(C)Cl)c(-c2cccnc2C)nc1C(=C)Cl
InChIInChI=1S/C17H16Cl2N2/c1-5-13-9-15(10(2)18)17(21-16(13)11(3)19)14-7-6-8-20-12(14)4/h5-10H,1,3H2,2,4H3
InChIKeyCGFBETYKURJSGW-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.60
Rot. Bonds4

About 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine

2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine (PubChem CID 145483409) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine
PubChem CID145483409
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine
SMILESC=Cc1cc(C(C)Cl)c(-c2cccnc2C)nc1C(=C)Cl
InChIInChI=1S/C17H16Cl2N2/c1-5-13-9-15(10(2)18)17(21-16(13)11(3)19)14-7-6-8-20-12(14)4/h5-10H,1,3H2,2,4H3
InChIKeyCGFBETYKURJSGW-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-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

8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline
CID 145483401
2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine
CID 155741523
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
1-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660795
3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
CID 105076232
1-[5-(1-chloroethenyl)-3-(2-chloro-5-fluorophenyl)-6-ethenylpyrazin-2-yl]ethanamine
CID 145483383
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
CID 146405666
3-(3,5-dichlorophenyl)-2-methylpyridine
CID 90167646
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine?
The IUPAC name of 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine (CID 145483409) is 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine is C=Cc1cc(C(C)Cl)c(-c2cccnc2C)nc1C(=C)Cl.
What is the InChIKey of 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine?
The InChIKey is CGFBETYKURJSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-5-13-9-15(10(2)18)17(21-16(13)11(3)19)14-7-6-8-20-12(14)4/h5-10H,1,3H2,2,4H3.
What are the key properties of 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine?
2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine has a molecular weight of 319.24 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine is sourced from PubChem (CID 145483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).