3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine

C13H11Cl2N — CID 63016855

IUPAC3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
SMILESClc1cccc(CC(Cl)c2cccnc2)c1
InChIInChI=1S/C13H11Cl2N/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1-7,9,13H,8H2
InChIKeyZNNCALMJROMGBL-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.26
Rot. Bonds3

About 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine

3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine (PubChem CID 63016855) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
PubChem CID63016855
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
SMILESClc1cccc(CC(Cl)c2cccnc2)c1
InChIInChI=1S/C13H11Cl2N/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1-7,9,13H,8H2
InChIKeyZNNCALMJROMGBL-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[1-chloro-2-(3-chlorophenyl)ethyl]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

3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
3-[1-chloro-2-(4-chlorophenyl)ethyl]pyridine
CID 63016477
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457
1-butan-2-yl-4-[1-chloro-2-(3-chlorophenyl)ethyl]benzene
CID 63429914
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
(E)-1-(4-chlorophenyl)-2-[(3-chlorophenyl)methyl]-3-pyridin-3-ylprop-1-ene-1,3-diol
CID 143201409
2-(3-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60818285
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531

Frequently Asked Questions

What is the IUPAC name of 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine?
The IUPAC name of 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine (CID 63016855) is 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine.
What is the SMILES notation for 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine?
The canonical SMILES for 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine is Clc1cccc(CC(Cl)c2cccnc2)c1.
What is the InChIKey of 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine?
The InChIKey is ZNNCALMJROMGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1-7,9,13H,8H2.
What are the key properties of 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine?
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine has a molecular weight of 252.14 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine is sourced from PubChem (CID 63016855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).