3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine

C16H17Cl2N — CID 66034144

IUPAC3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
SMILESCc1ccc(CC(CCl)Cc2ccncc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-12-2-4-13(5-3-12)8-14(10-17)9-15-6-7-19-11-16(15)18/h2-7,11,14H,8-10H2,1H3
InChIKeyOVUSPVBRYXGHLF-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.68
Rot. Bonds5

About 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine

3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine (PubChem CID 66034144) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
PubChem CID66034144
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
SMILESCc1ccc(CC(CCl)Cc2ccncc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-12-2-4-13(5-3-12)8-14(10-17)9-15-6-7-19-11-16(15)18/h2-7,11,14H,8-10H2,1H3
InChIKeyOVUSPVBRYXGHLF-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]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-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
4-[2-(bromomethyl)-3-(4-methoxyphenyl)propyl]-3-chloropyridine
CID 66042104
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
CID 83183227
5-[2-(chloromethyl)-3-(4-methylphenyl)propyl]-1-methyl-1,2,4-triazole
CID 66033927
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
[1-(3-chloro-4-pyridinyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205447
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine?
The IUPAC name of 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine (CID 66034144) is 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine is Cc1ccc(CC(CCl)Cc2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine?
The InChIKey is OVUSPVBRYXGHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-12-2-4-13(5-3-12)8-14(10-17)9-15-6-7-19-11-16(15)18/h2-7,11,14H,8-10H2,1H3.
What are the key properties of 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine?
3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine has a molecular weight of 294.23 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine is sourced from PubChem (CID 66034144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).